Information card for entry 8106705

Structure parameters

• Formula: C44 H49 Cl2 Co3 N6 O12
• Calculated formula: C44 H49 Cl2 Co3 N6 O12
• Title of publication: Crystal structure of bis(μ2-acetato-κ2 O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6 O:O,N,N′,O′′:O′′}tricobalt(II), C44H49Cl2Co3N6O12
• Authors of publication: Yang, Yu-Hua; Wang, Bao-Jun; Lan, Peng-Fei; Dong, Wen-Kui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 869 - 872
• a: 9.7415 ± 0.0009 Å
• b: 13.644 ± 0.0014 Å
• c: 20.277 ± 0.003 Å
• α: 72.807 ± 0.01°
• β: 83.019 ± 0.009°
• γ: 72.246 ± 0.009°
• Cell volume: 2450.6 ± 0.5 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 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: 0.1612
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No