Information card for entry 4310273

Structure parameters

• Formula: C13 H8 Cu N5 S
• Calculated formula: C13 H8 Cu N5 S
• Title of publication: New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI
• Authors of publication: Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 181 - 188
• a: 11.2816 ± 0.0007 Å
• b: 19.3224 ± 0.0011 Å
• c: 6.1554 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1341.8 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No