Information card for entry 4326407

Structure parameters

• Formula: C15 H22 Co N5 O6
• Calculated formula: C15 H22 Co N5 O6
• SMILES: [Co]12([n]3ccc(C(=O)O)cc3)([N](O)=C(C(C)=N1=O)C)(N(=O)=C(C(=[N]2O)C)C)C
• Title of publication: Intriguing Two-Dimensional Assembly of Cobaloxime with a [Zn2(OOCR)4] Center
• Authors of publication: Sarvendra Kumar; B. D. Gupta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9207 - 9209
• a: 8.042 ± 0.003 Å
• b: 33.383 ± 0.01 Å
• c: 13.643 ± 0.004 Å
• α: 90°
• β: 92.741 ± 0.005°
• γ: 90°
• Cell volume: 3658 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No