Information card for entry 4312890

Structure parameters

• Formula: C19 H37 Cl2 Cu3 N19 O11 S3
• Calculated formula: C19 H33 Cl2 Cu3 N19 O11.014 S3
• Title of publication: Different Oxidation States of Copper(I, I/II, II) Thiocyanate Complexes Containing 1,2,4-Triazole as a Bridging Ligand: Syntheses, Crystal Structures, and Magnetic Properties of 2-D Polymer CuI(admtrz)SCN, Linear Trinuclear [CuI2CuII(admtrz)6(SCN)2](ClO4)2, and Triangular Trinuclear [CuII3(admtrz)4(SCN)3(μ3-OH)(H2O)](ClO4)2.H2O (admtrz = 4-Amino-3,5-dimethyl-1,2,4-triazole)
• Authors of publication: Jia-Cheng Liu; Guo; Jin-Shun Huang; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 235 - 243
• a: 21.501 ± 0.003 Å
• b: 18.382 ± 0.0018 Å
• c: 21.526 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8507.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No