Information card for entry 8102208

Structure parameters

• Chemical name: azido-(2-bromo-4-chloro-6-((2-diethylaminoethylimino)methyl)phenolato)- (2-bromo-4-chloro-6-((2-diethylhdrogenaminoethylimino)methyl)phenolato)- cobalt(III) nitrate
• Formula: C26 H35 Br2 Cl2 Co N8 O5
• Calculated formula: C26 H35 Br2 Cl2 Co N8 O5
• SMILES: [Co]123(Oc4c(cc(Cl)cc4Br)C=[N]1CC[NH+](CC)CC)(Oc1c(cc(Cl)cc1Br)C=[N]2CC[N]3(CC)CC)N=N#N.O=N(=O)[O-]
• Title of publication: Crystal structure of azido(2-bromo-4-chloro-6-((2-diethylaminoethylimino) methyl)phenolato)(2-bromo-4-chloro-6-((2-diethylhydrogenaminoethylimino) methyl)phenolato)cobalt(III) nitrate, [Co(C~13~H~17~BrClN~2~O)(C~13~H~18~BrClN~2~O)(N~3~)][NO~3~]
• Authors of publication: Peng, San-Jun; Wu, Dao-Xin; Song, Liu-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 427 - 429
• a: 14.3314 ± 0.0012 Å
• b: 19.3918 ± 0.0016 Å
• c: 25.521 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7092.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1741
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No