Information card for entry 4311062

Structure parameters

• Formula: C24 H32 Cd2 N12 O12 S2
• Calculated formula: C24 H24 Cd2 N12 O12 S2
• Title of publication: Hydrothermal Syntheses, Crystal Structures, and Characteristics of a Series of Cd-btx Coordination Polymers (btx = 1,4-Bis(triazol-1-ylmethyl)benzene)
• Authors of publication: Xiangru Meng; Yinglin Song; Hongwei Hou; Huayun Han; Bo Xiao; Yaoting Fan; Yu Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3528 - 3536
• a: 12.407 ± 0.003 Å
• b: 12.805 ± 0.003 Å
• c: 11.297 ± 0.002 Å
• α: 89.9 ± 0.03°
• β: 101.75 ± 0.03°
• γ: 102.37 ± 0.03°
• Cell volume: 1714.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No