Information card for entry 2011404

Structure parameters

• Formula: C48 H68 Ca Co2 N2 O12
• Calculated formula: C48 H68 Ca Co2 N2 O12
• SMILES: [Ca]1234([O]=C(C(C)(C)C)O[Co]([n]5cccc6ccccc56)(OC(=[O]2)C(C)(C)C)OC(C(C)(C)C)=[O]1)[O]=C(C(C)(C)C)O[Co]([n]1cccc2ccccc12)(OC(=[O]3)C(C)(C)C)OC(C(C)(C)C)=[O]4
• Title of publication: Two mixed-metal carboxylate‒base adducts
• Authors of publication: Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1198 - 1200
• a: 20.571 ± 0.0005 Å
• b: 13.9851 ± 0.0003 Å
• c: 18.8102 ± 0.0004 Å
• α: 90°
• β: 103.814 ± 0.007°
• γ: 90°
• Cell volume: 5254.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes