Information card for entry 4310470

Structure parameters

• Formula: C11 H20 Br Co N4 O4
• Calculated formula: C11 H20 Br Co N4 O4
• SMILES: Br[Co]123([N](OCCC2)=C(C)C(C)=[N]1O)[N](=O)=C(C(=[N]3O)C)C
• Title of publication: Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes
• Authors of publication: Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 577 - 583
• a: 7.2651 ± 0.0008 Å
• b: 10.4394 ± 0.0012 Å
• c: 20.293 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1539.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No