Information card for entry 8106706

Structure parameters

• Formula: C43 H48 Br4 Co2 N6 O9
• Calculated formula: C43 H48 Br4 Co2 N6 O9
• SMILES: Brc1c2O[Co]345[O]([Co]678Oc9c(Br)cc(Br)cc9C=[N]7OCCO[N]8=Cc7ccc(N(CC)CC)cc7[O]36)c3c(C=[N]4OCCO[N]5=Cc2cc(Br)c1)ccc(N(CC)CC)c3.O=C(C)C
• Title of publication: Crystal structure of bis{μ2-2,4-dichloro-6-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ5 O:O,N,N′,O′}dicobalt(II) acetone solvate, C43H48Br4Co2N6O9
• Authors of publication: Zheng, Shan-Shan; Hao, Jing; Lan, Peng-Fei; Dong, Xiu-Yan; 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: 873 - 875
• a: 11.9298 ± 0.0007 Å
• b: 12.885 ± 0.0009 Å
• c: 17.5241 ± 0.0011 Å
• α: 84.854 ± 0.006°
• β: 85.181 ± 0.005°
• γ: 65.796 ± 0.006°
• Cell volume: 2443.7 ± 0.3 ų
• Cell temperature: 293.51 ± 0.1 K
• Ambient diffraction temperature: 293.51 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No