Synthesis and Characterization of a Sb(Ⅲ)Complex with α-Diimine Ligand and a Csp3-Csp3 Coupling Production of the Original Ligand

A Csp3-Csp3 coupling production of the original ligand molecule [(CMeN(2,6-iPr2C6H3))2]2 (1) and an antimony ionic compound with α-diimine ligand [LH3]+[SbCl4]-(2, L = [(2,6-iPrC6H3)NC(Me)]2) were synthesized and characterized by 1H NMR, elemental analysis and single-crystal X-ray structural analysis. The crystal of compound 1 belongs to the orthorhombic system, space group Pbca with a = 21.173(4), b = 10.1639(17), c = 22.954(4) , V = 4939.8(14) 3, C56H78N4, Mr = 807.22, Z = 4, Dc = 1.085 g/cm3, μ(MoKα) = 0.062 mm-1, F(000) = 1768, S = 0.998, the final R = 0.0593 and wR = 0.1616 for 6481 observed reflections (Ⅰ > 2σ(Ⅰ)) and R = 0.0819 and wR = 0.1805 for all 28753 data. The crystal of compound 2 belongs to the triclinic system, space group P with a = 10.930(2), b = 12.553(2), c = 12.561(3) , α = 89.780(7), β = 82.861(6), γ = 68.598(4)o, V = 1590.5(5) 3, C28H43Cl4N2Sb, Mr = 671.19, Z = 2, Dc = 1.401 g/cm3, μ(MoKα) = 1.222mm-1, F(000) = 688, S = 0.989, the final R = 0.0294 and wR = 0.0616 for 7578 observed reflections (Ⅰ > 2σ(Ⅰ)) and R = 0.0366 and wR = 0.0639 for all 16515 data. Complex 1 can be rationalized as a result of Csp3-Csp3 coupling of two ligand molecules. The reaction of corres- ponding potassium salts with Sb(Ⅲ) chloride resulted in the antimony complex 2, in which the cationic moiety [LH3]+ is balanced by the presence of [SbCl4]- anion.     

Synthesis and Crystal Structure of a Novel 2D Cadmium(II) Complex Constructed from N-(3-Carboxyphenyl)-4,4ˊ-bipyridinium and Benzene-1,4-dicarboxylic Acid

A novel redox-active bipyridinium ligand N-(3-carboxyphenyl)-4,4ˊ-bipyridinium chloride (HCPBPyCl) and its coordination polymer {[Cd2(CPBPy)2(BDC)(H2O)2Cl2]·6H2O}n 1 (H2BDC = benzene-1,4-dicarboxylic acid) were synthesized and characterized. Crystallographic data for 1: C42H44Cd2Cl2N4O16, Mr = 1156.51, monoclinic, space group C2/c, a = 21.046(3), b = 11.0036(15), c = 20.012(3) , β = 98.694(8)°, Z = 4, V = 4581.1(11) 3, Dc = 1.677 g/cm3, F(000) = 2280 and μ = 1.120 mm-1. Complex 1 possesses a thick and undulated two-dimensional layer with (6,3) topology, which interpenetrates with two others (above and below) to extend into a three-di-mensional supramolecular framework.     

Synthesis, Crystal Structure and Antidepressant Activity of 5-[4-(Benzyloxy)phenyl]-9-(n-propyl)-4,6-dioxa-1-azabicyclo[3.3.1]nonane Hydrochloride 0.5Hydrate

The title compound 2(C22H28N+O3)·H2O·2Cl-was synthesized by the reaction of 2-bromo-1-[4-(benzyloxy)phenyl]-1-pentone with 2,2'-azanediyldiethanol. The crystal determined by X-ray diffraction analysis belongs to the monoclinic system, space group Pc with a = 18.312(3), b = 14.838(3), c = 7.6227(14) , β = 97.981(4)°, Z = 2, Mr = 797.82, V = 2051.1(6) 3, Dc = 1.292 g/cm3, S = 0.956, μ = 0.21 mm-1, F(000) = 852, the final R = 0.0625 and wR = 0.1428 for 5683 observed reflections (Ⅰ > 2σ(Ⅰ)). Flack parameter is 0.10(9). The title compound is composed by four non-coplanar ring systems, two benzenes and two morpholines. One morpholine ring (C(3)-C(4)-N(1)-C(1)-C(2)-O(1)) forms a chair conformation, while the other (C(4)-C(3)-O(2)-C(6)-C(5)-N(1)) assumes a boat conformation. X-ray crystal structure displays extensive N-H…Cl and O-H…Cl intermolecular hydrogen bonds. The preliminary antidepressant activity test indicates that the inhibition ratio of SERT (5-HT Transporter) was 35.9% at the dosage of 10.0 mg/L.     

Syntheses and Crystal Structures of Two New One-dimensional Double Hydrogen-bonding-chain Complexes [Ni(bipy)_2Cl]·ClO_4 and [Zn(bipy)_2Cl]·BF_4

Two new transition metal complexes, [Ni(bipy)2Cl]·ClO4 (bipy = 2,2'-bipyridine) 1 and [Zn(bipy)2Cl]·BF4 2, have been synthesized and characterized by single-crystal X-ray diffraction analysis. Both 1 and 2 crystallize in monoclinic space group P21/n with Z = 4. For 1, a = 10.776(1), b = 12.067(1), c = 16.146(2) , β = 93.021(2)o, V = 2031.9(4) 3, Mr = 505.98, Dc = 1.654 g/cm3, μ = 1.255 mm–1, F(000) = 1032, the final R = 0.0406 and wR = 0.1002 for 3983 observed reflections with I > 2σ(I). For 2, a = 10.758(4), b = 12.058(4), c = 16.135(5) , β = 104.57(1)o, V = 2025.7(12) 3, Mr = 500.00, Dc = 1.639 g/cm3, μ = 1.396 mm–1, F(000) = 1008, the final R = 0.0470 and wR = 0.1237 for 3759 observed reflections with I > 2σ(I). The crystal structures of 1 and 2 are isostructural with very similar supramolecular structures. A one-dimen-sional zigzag double hydrogen-bonding-chain is generated by the intermolecular M-bipy ···anion···bipy- M hydrogen bonding interactions between the chelating ligands of bipy and anion.     

Synthesis and Crystal Structure of a Dinuclear Cu(Ⅱ) Complex [Cu(C_(13)H_9N_2O)Cl]_2·(CH_3CN)_2 with Ligand 2-Benzimidazol

A new dinuclear copper complex, [Cu(C13H9N2O)Cl]2·(CH3CN)2 (C30H24Cl2Cu2N6O2), has been synthesized and characterized by X-ray structure determination. It crystallizes in the tricli- nic system, space group P1, with a = 7.6677(14), b = 9.2375(17), c = 11.227(2) , α = 81.338(3), β = 88.173(4), γ = 66.199(3)o, V = 718.9(2) 3, Z = 1, Mr = 698.53, F(000) = 354, Dc = 1.613 g/cm3, μ(MoKα) = 1.705 mm-1, the final R = 0.0645 and wR = 0.1364 for 2474 unique reflections with 1809 observed ones (I > 2σ(I)). In the title complex, each copper(II) atom is located at the center of a distorted tetrahedron consisting of four coordinate atoms (one nitrogen atom, two oxygen anions, and one chlorine atom). Two copper(II) atoms are bridged by two oxygen anions (O(1) and O(1a)) of two phenolates to form a Cu(II)–Cu(II) binuclear entity, and the distance between two copper(II) atoms is 3.0144(15) .     

Synthesis, Crystal Structure and Theoretical Studies of (E)-1-((9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl)methylene)thiosemicarbazide

A novel thiosemicarbazide derivative, (E)-1-(9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl) methylene)-thiosemicarbazide (CMT), was synthesized and structurally characterized by IR, 1H-NMR, EI-MS and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 14.769(5), b = 8.279(5), c = 17.166(5) , β = 114.391(5)°, V = 1911.6(14) 3, Z = 4, F(000) = 784, Dc = 1.287 g/m3, Mr = 370.47, μ = 0.190 mm-1, the final R = 0.0390 and wR = 0.1358 for 1446 observed reflections with Ⅰ > 2σ(Ⅰ). The UV-vis absorption spectra of CMT were explained based on quantum chemical calculations, using time dependent density functional theory (TD-DFT) at the B3LYP/6-31G (d) level.     

含能配合物[Mn(DAT)6](ClO4)2的合成、晶体结构、热行为及感度性质

合成了新型含能配合物[Mn(DAT)6](ClO4)2(DAT=1,5-二氨基四唑), 用X射线单晶衍射法测定了其晶体结构. 该晶体属三方晶系, P3c1空间群, a=b=1.18435(17) nm, c=1.3081(3) nm, α=β=90°, γ=120°, V=1.5891(5) nm3, Z=2. 该配合物分子结构单元中有1个Mn2+离子、6个DAT分子和2个ClO4-离子. 由6个DAT分子中的6个N原子与中心Mn2+离子配位形成六配位、非中心对称的畸变八面体结构. 利用元素分析、差示扫描量热分析(DSC)、热重-微分热重分析(TG-DTG)等方法进行了表征, 研究了其感度性能. 研究结果表明, 该配合物对外界刺激具有很高的响应性和危险性.     

Syntheses and Structures of Two Ruthenium(Ⅲ) Complexes [Ru(PPh_3)_2(S_2CNR_2)Cl_2]·CH_2Cl_2(R=Et and ~iPr)

Oxidation reaction of [Ru(PPh3)3Cl2] with tetraethylthiuram disulfide [Et2NCS2]2 or tetra-iso-propylthiuram disulfide [iPr2NCS2]2 afforded ruthenium(Ⅲ) complexes [Ru(PPh3)2(S2CNR2) Cl2]·CH2Cl2(R=Et 1,iPr 2) which were characterized by single-crystal X-ray diffraction.Complex 1 crystallizes in triclinic,space group P with a = 11.5065(6),b = 12.1458(7),c = 18.0034(9) ,α = 109.380(4),β = 95.279(4),γ = 97.969(4)°,V = 2324.8(2) 3 and Z = 2.Complex 2 belongs to the monoclinic system,space group P21/n with a = 12.5752(3),b = 20.7562(5),c = 17.6821(3) ,β = 105.934(1)°,V = 4437.94(17) 3 and Z = 4.Both mononuclear complexes 1 and 2 have an octahedral configuration around the central ruthenium atom which is bonded to one chelated dithiocarbamate ligand,two PPh3 ligands in mutually trans and two chlorides in mutually cis positions.The average Ru-S,Ru-P and Ru-Cl bond lengths are 2.377(2),2.412(2) and 2.369(2)  for 1,and 2.376(2),2.414(1) and 2.383(2)  for 2,respectively.The electrochemical properties of these two complexes were studied in CH2Cl2 solution by cyclic voltammetry.     

A New Dinuclear Cu(Ⅱ) Complex of a Ligand with Benzimidazole Group─Synthesis and Crystal Structure

A new dinuclear copper complex, [Cu(C9H11N3)Cl2]2 (C18H22Cl4Cu2N6), has been synthe- sized and characterized by X-ray structure determination. It crystallizes in the triclinic P1 space group with a = 7.526(3), b = 9.473(4), c = 9.535(3) , α = 117.214(10), β = 108.251(9), γ = 91.560(6)o, V = 562.3(4) 3, Z = 1, Mr = 591.30, F(000) = 298, Dc = 1.746 g/cm3, μ(MoKα) = 2.385 mm-1, the final R = 0.0577 and wR = 0.1248 for 2188 unique reflections with 1629 observed ones (I > 2σ(I)). In the title complex, each copper(II) atom is located at the center of a distorted trigonal bipyramid of five coordination atoms (two nitrogen and three chlorine atoms). Two copper(II) atoms were bridged by two chlorine anions (Cl(2) and Cl(2a)) to form a Cu(II)-Cu(II) binuclear entity with the distance between two copper(II) atoms of 3.398 .     

‘Whole-molecule Disorder’ Refinement of 4-（4-Hydroxybenzylideneiminio）phenol Hemichloride Hemihydroxide

The two independent cations of the salt, [HO-C6H4-CH=NH-C6H4-OH]·1/2OH·1/2Cl, are both disordered about an axis connecting the two oxygen atoms at the para-positions of the aromatic rings, the disorder being in a 83:17 ratio in one cation and 91:9 in the other. The hydroxide and chloride anions are ordered. The treatment of the nearly ‘whole-molecule disorder’ by employing a small number of restraints is described. Crystal data: C13H12.5Cl0.5NO2.5, triclinic, P , a = 9.1731(4), b = 9.2048(4), c = 15.9144(7) , α = 104.822(1), β = 90.077(1), γ = 118.641(1)o and V = 1127.86(9) 3 at –173 K.     

Syntheses and Crystal Structures of Two Copper(Ⅱ) Complexes Derived from Bidentate Schiff Bases

<正>Two new Cu(II) complexes have been synthesized with two different bidentate N_2O_2 donor Schiff base ligands HL_1 (2-((E)-(4-chlorophenylimino)methyl)-6-bromo-4-chlorophenol) and HL_2 (2-((E)-(2-chlorophenylimino)methyl)-6-bromo-4-chlorophenol), respectively. Both complexes 1 and 2 have been characterized by elemental analysis and single-crystal X-ray diffraction studies. Structural studies reveal that in both complexes the metal centers are four-coordinated with N_2O_2 donor set of Schiff base ligands. Complex 1 belongs to the tetragonal system, space group P4(3)2(1)2 with a = 10.2379(2), b = 10.2379(2), c = 24.9623(90) , V = 2616.41(12) ~3, Z = 4, D_c = 1.908 g/cm~3, μ(MoKα) = 4.3327 mm~(-1), F(000) = 1468, S = 0.999, the final R = 0.0345 and wR = 0.0835 for 3506 unique reflections (R_(int) = 0.0428) with 3249 observed ones (I > 2σ(I)). Complex 2 is of monoclinic system, space group P21/c with a = 11.064(3), b = 9.437(2), c = 13.277(4), β = 108.997(3)°, V = 1310.8(6) ~3 , Z = 2, D_c = 1.904 g/cm~3, μ(MoKα) = 4.319 mm~(-1), F(000) = 734, S = 0.997, the final R = 0.0282 and wR = 0.0619 for 3491 unique reflections (R_(int) = 0.0428) with 2777 observed ones (I > 2σ(I)). The units of the complex are linked via weak interactions, such as C-H…Br hydrogen bonds together with Cl…Cl and Cu…Cl interactions, leading to the formation of one-dimensional chain and two-dimensional network and stabilizing the crystal structure.     

Investigation of Intermolecular C-H···Halogen Hydrogen Bonded Supramolecular Assemblies in Three Copper(Ⅰ) Complexes Formed by 3,3'-Dimethoxy-6,6'-dimethyl-2,2'-bipyridine Ligand

Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3'-dimethoxy-6,6'-dimethyl-2,2'-bipyridine ligand(dmbp) with the corresponding Cu(Ⅰ) salts.Crystal data for 1:orthorhombic Pbca,a = 18.5858(12),b = 8.1821(5),c = 20.6066(13) ,V = 3133.7(3) 3,Z = 8,Dc = 1.843 g/cm3,F(000) = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2:Orthorhombic Pbca,a = 18.7883(16),b = 8.3249(7),c = 19.0294(17) ,V = 2976.4(4) 3,Z = 8,Dc = 1.731 g/cm3,F(000) = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3:monoclinic P21/c,a = 13.812(10),b = 9.910(7),c = 23.444(17) ,β = 104.3350(10)°,V = 3090(4) 3,Z = 4,Dc = 1.476 g/cm3,F(000) = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2(1) and C14H16BrCuN2O2(2) are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional(3D) supramolecular network in 1 and a two-dimensional(2D) sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4(3) is ionic.In 3,the [Cu(dmbp)2]+ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional(1D) chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.     

Preparation and Crystal Structures of LaCl_3（12－crown－4）（MeOH）and［LaCl_3（phen）_2（H_2O）］·MeOH

Ｐｒｅｐａｒａｔｉｏｎ　ａｎｄ　Ｃｒｙｓｔａｌ　Ｓｔｒｕｃｔｕｒｅｓ　ｏｆ　ＬａＣｌ_３（１２－ｃｒｏｗｎ－４）（ＭｅＯＨ）ａｎｄ［ＬａＣｌ_３（ｐｈｅｎ）_２（Ｈ_２Ｏ）］·ＭｅＯＨＭａｏＪｉａｎｇ－Ｇａｏ（ＦｕｊｉａｎＩｎｓｔｉｔｕｔｅｏｆＲｅｓｅａ...     

Synthesis,Characterization and Crystal Structure of a Three-dimensional Coordination Polymer {[Cd（1,5-nds）（Him）2（H2O）]·2H2O}n

A novel cadmium（Ⅱ） coordination polymer {[Cd（1,5-nds）（Him）2（H2O）]·2H2O}n （1,5-nds = naphthalene-1,5-disulfonate and Him = imidazole） was synthesized based on the reaction of cadmium oxide and 1,5-naphthalenedisulfonic acid firstly, and then mixed with imidazole in methanol medium. Its structure was characterized by elemental analysis, IR and TGA, respectively. The crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1, with a = 8.5420（10）, b = 10.2570（10）, c = 13.361（2） A, α = 100.704 （2）, β = 100.195（2）, γ = 108.873（3）°, C16H20Cd N4O9S2, Mr= 588.91, V = 1.0524（2） nm^3, Dc = 1.858 g/cm^3, Z = 2, F（000） = 592, β^ = 1.294 mm-1, R = 0.0397 and wR = 0.1007 for 3180 observed reflections （Ⅰ〉 2σ（Ⅰ））. Structural analysis shows that the cadmiun atom is coordinated with four oxygen atoms from three 1,5-nds and one water molecule together with two nitrogen atoms from two imidazoles, giving a distorted octahedral coordination geometry. The molecules are linked to form a two-dimensional coordination polymer based on bridging ligands of naphthalene- 1,5-disulfonate anions, the sheets of which are then interacted via hydrogen bonds, leading to a three-dimensional network structure.     

Synthesis and Crystal Structure of an Indenylnickel(II) NHC Complex (Ind)NiBr(1,3-bisbenzylimidazol-2-ylidene)

1 INTRODUCTION During the past few decades, indene and its substituted derivatives (Ind) are of special interest in Group IVB complexes owing to their easy coordina- tion modification by substitution[1～7]. The Ind li- gands can be tuned spontaneously to coordinate to the center metal from η1 to η5 via relatively facile “ring slippage”, thus leading to better stabilization of transition states or reaction intermediates[8]. How- ever, their applications in Group 10 metal complexes ha…     

Synthesis and Crystal Structure of Bisaqua-[N,N'-bis(3,5-dichlorosalicylidene)-1,3-diaminopropano]zinc(II)

1 INTRODUCTION N,N?-Bis(salicylidene)-1,3-diaminopropane (BSDP) is a versatile tetradentate ligand, which forms stable complexes with a large number of transition metals[1～3]. However, the complexes related to the BSDP deriva- tive,N,N?-bis(3,5-dichlorosalicylidene)-1,3-diamino- propane (BCDP), have been seldom reported. The prime interest in these complexes is their ability to afford functional solid materials with potentially controllable properties and novel molecular struc- tur…     

Synthesis and Characterization of Nickel(II) and Copper(II) Complexes with Schiff Base (1R,2R)-(-)-Diaminocyclohexane-N,N'-bis(3-tert-butyl-5-(4'-benzoic acid)-salicylidene)

Two homochiral metallosalen complexes, Ni(salen) (salen = (1R,2R)-(-)-diaminocyclohexane-N,N'-bis(3-tert-butyl-5-(4'-benzoic acid)-salicylidene) 1 and Cu(salen) 2, have been synthesized and characterized by IR, microanalysis, TGA, powder and single-crystal X-ray crystallography. Both 1 and 2 crystallize in orthorhombic space group P21212 with Z = 4. For 1, a = 12.082(2), b = 15.447(3), c = 18.784(4) , V = 3505.7(12) 3, Mr = 731.50, Dc = 1.386 g/cm3, μ = 0.606 mm–1, F(000) = 1544, the final GOOF = 1.043, R = 0.0496 and wR = 0.1248 for 4791 observed reflections with I > 2σ(I). For 2, a = 12.181(2), b = 15.501(3), c = 18.877(4) , V = 3564.3(12) 3, Mr = 736.33, Dc = 1.372 g/cm3, μ = 0.665 mm–1, F(000) = 1548, the final GOOF = 1.062, R = 0.0575 and wR = 0.1508 for 4562 observed reflections with I > 2σ(I). The crystal structures of 1 and 2 are isostructural with very similar supramolecular structures. An infinite two-dimensional network is generated by hydrogen bonding interactions and intermolecular π···π interactions.     

Synthesis, Crystal Structure and Magnetic Properties of a New Zn(II)-Nitronyl Nitroxide Complex

A new complex [Zn(NIT-1'-MeBzIm)Cl2(H2O)] (NIT-1'-MeBzIm = 2-{2'-[(l'- methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been prepared and structurally characterized by X-ray diffraction method. Crystal data: monoclinic, space group P21/n, Z = 4, C15H21Cl2N4O3Zn, Mr = 441.63, a = 7.2225(10), b = 30.849(4), c = 8.8758(13) , β = 103.904(2)°, V = 1919.6(5) 3, Dc = 1.528 g/cm3, μ(MoKα) = 1.579 mm1, F(000) = 908, R = 0.0436 and wR = 0.1029 for 2456 observed reflections with I > 2σ(I). X-ray analysis reveals that the Zn(II) ion is four-coordinated with a distorted tetrahedron. There also exist H-bonds, π-π piling interactions and weak intermolecular contacts between the NO groups which form a mutual stagger 3-D network configuration. Magnetic investigation reveals that there exists intermolecular antiferro- and ferromagnetic interactions in the title complex.     

Hydrothermal Synthesis,Crystal Structure and Electrochemical Properties of a New Dinuclear Copper Complex [C2H6ON]2[Cu2Cl2（μ-CH3COO）4]

The hydrothermal reaction of copper chloride dihydrate and 5,5-dimethyl-imidazolidine,-2,4-dione with a mole ratio of 1：1 in acetonitrile resulted in the formation of a new acetate-bridged dinuclear copper complex, [C2H6ON]2[Cu2Cl2（μ-CH3COO）4]. Protonated acetamide in eaolie form and acetic acid were yielded by the hydrolysis of acetonitrile under hydrothennal condition. The rifle complex （C12H24Cl2Cu2N2O10） was characterized by X-ray single-crystal diffraction, IR spectrum, elemental and electrochemical analysis. It crystallizes in the monoclinic system, space group P21/c with a = 8.298004）, b = 14.358（2）, c = 12.0010（2） A^°, β= 130.620（3）°, V = 1085.3（2） A^°^3, Dc = 1.696 g/cm^3, 34, = 554.31, Z = 2, F（000） = 564 and μ = 2.254 mm^-1. The crystal structure consists of a tetraacetate-bridging dinulcear copper complex anion [Cu2Cl2（μ-CH3COO）4]^2-, with the chlorine anions in the axial positions, and two protonated acetamide cations [C2H6ON]^＋, which were connected through hydrogen bonds to form a three-dimensional infinite network.     

Hydrothermal Synthesis and Crystal Structure of a Novel Selenite-chloride：[Cd4（SeO3）2Cl4（H2O）]n with a Three-dimensional Framework

A novel three-dimensional(3-D) compound [Cd4(SeO3)2Cl4(H2O)]n(1) was prepared from a hydrothermal reaction and structurally characterized.Compound 1 crystallizes in the space group Fmmm of the orthorhombic system with eight formula units in a cell:a = 15.5165(4),b = 17.5090(9),c = 7.3318(5) ,V = 1991.9(2) 3,Cd4Cl4H2O7Se2,Mr = 863.38,Dc = 5.758 g/cm3,S = 1.075,μ(MoKα) = 16.820 mm-1,F(000) = 3088,R = 0.0427 and wR = 0.1220.Compound 1 features a 3-D structure with the cadmium atoms having two different coordination environments,i.e.,six-and eight-coordination geometries.Two different chain-like structures of cadmium-oxo polyhedra are interconnect to each other to give a 2-D layer of [Cd4(SeO3)2(H2O)]n4n+.Between the [Cd4(SeO3)2(H2O)]n4n+ layers is a novel chloride layer.A 3-D framework is constructed from these [Cd4(SeO3)2(H2O)]n4n+ layers linked by the chloride layers.