Information card for entry 4311063

Structure parameters

• Formula: C12 H14 Cd N6 O8 S2
• Calculated formula: C12 H8 Cd N6 O8 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: 8.5563 ± 0.0017 Å
• b: 12.438 ± 0.003 Å
• c: 8.542 ± 0.0017 Å
• α: 107.33 ± 0.03°
• β: 97.22 ± 0.03°
• γ: 88.63 ± 0.03°
• Cell volume: 860.8 ± 0.4 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: 0.1064
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2794
• Weighted residual factors for all reflections included in the refinement: 0.2891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No