Information card for entry 1562078

Structure parameters

• Formula: C54 H40 Cu2 N8 O8
• Calculated formula: C54 H40 Cu2 N8 O8
• 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: 15.739 ± 0.005 Å
• b: 18.612 ± 0.005 Å
• c: 18.628 ± 0.004 Å
• α: 90°
• β: 121.439 ± 0.018°
• γ: 90°
• Cell volume: 4656 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No