Information card for entry 7712864

Structure parameters

• Formula: C52 H66 Ca N5 O3
• Calculated formula: C52 H66 Ca N5 O3
• Title of publication: A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies
• Authors of publication: Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.30148 ± 0.0001 Å
• b: 20.12994 ± 0.00016 Å
• c: 18.18427 ± 0.00015 Å
• α: 90°
• β: 95.7924 ± 0.0007°
• γ: 90°
• Cell volume: 4844.12 ± 0.07 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.0573
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No