Information card for entry 7212601

Structure parameters

• Formula: C48 H46 N12 Ni3 O14
• Calculated formula: C48 H42 N12 Ni3 O14
• Title of publication: Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior
• Authors of publication: Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4339
• a: 17.4216 ± 0.0015 Å
• b: 8.507 ± 0.0007 Å
• c: 16.3463 ± 0.0014 Å
• α: 90°
• β: 106.566 ± 0.001°
• γ: 90°
• Cell volume: 2322.1 ± 0.3 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: 0.0375
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No