Information card for entry 4339559

Structure parameters

• Common name: compound 3
• Formula: C8 H12 Bi Cu2 I5 N4
• Calculated formula: C8 H12 Bi Cu2 I5 N4
• Title of publication: A series of new copper iodobismuthates: structural relationships, optical band gaps affected by dimensionality, and distinct thermal stabilities.
• Authors of publication: Chai, Wen-Xiang; Wu, Li-Ming; Li, Jun-Qian; Chen, Ling
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8698 - 8704
• a: 8.34 ± 0.004 Å
• b: 11 ± 0.006 Å
• c: 13.342 ± 0.007 Å
• α: 111.406 ± 0.005°
• β: 90.506 ± 0.006°
• γ: 90.458 ± 0.005°
• Cell volume: 1139.4 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No