Information card for entry 7031542

Structure parameters

• Formula: C14 H18 Co N4 O8
• Calculated formula: C14 H18 Co N4 O8
• SMILES: c1cccc2CC[OH][Co]34([n]12)([n]1ccccc1CC[OH]3)ON(=O)=[O]4.N(=O)(=O)[O-]
• Title of publication: Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.
• Authors of publication: Mobin, Shaikh M.; Mohammad, Akbar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13032
• a: 12.6998 ± 0.0012 Å
• b: 8.8157 ± 0.0009 Å
• c: 33.412 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3740.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No