Information card for entry 7712861

Structure parameters

• Formula: C86 H62 Br2 Ca2 N4 O4
• Calculated formula: C86 H62 Br2 Ca2 N4 O4
• 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: 11.1141 ± 0.0004 Å
• b: 12.0745 ± 0.0003 Å
• c: 14.6995 ± 0.0005 Å
• α: 78.371 ± 0.002°
• β: 70.616 ± 0.003°
• γ: 68.461 ± 0.003°
• Cell volume: 1723.71 ± 0.11 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No