Information card for entry 7212133

Structure parameters

• Formula: C46 H32 N8 O12 Zn3
• Calculated formula: C46 H32 N8 O12 Zn3
• Title of publication: Temperature-controlled structure diversity observed in the Zn(ii)-oxalate-4,4′-bipyridine three-member system
• Authors of publication: Luo, Feng; Luo, Ming-biao; Liu, Yun-hai
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1750
• a: 16.293 ± 0.003 Å
• b: 15.589 ± 0.003 Å
• c: 16.355 ± 0.003 Å
• α: 90°
• β: 93.92 ± 0.03°
• γ: 90°
• Cell volume: 4144.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1341
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.287
• Weighted residual factors for all reflections included in the refinement: 0.2994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No