Information card for entry 1562076

Structure parameters

• Formula: C92 H86 Cu4 N16 O23 S2
• Calculated formula: C92 H78.8 Cu4 N16 O23 S2
• Title of publication: Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property
• Authors of publication: Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 223
• Pages of publication: 2 - 16
• a: 8.7238 ± 0.0009 Å
• b: 11.396 ± 0.0012 Å
• c: 23.211 ± 0.003 Å
• α: 90°
• β: 97.59 ± 0.002°
• γ: 90°
• Cell volume: 2287.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1598
• 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