Information card for entry 7031540

Structure parameters

• Formula: C14 H22 Co N4 O10
• Calculated formula: C14 H22 Co N4 O10
• SMILES: c1c2CC[OH][Co]3([n]2ccc1)([n]1ccccc1CC[OH]3)([OH2])[OH2].N(=O)(=O)[O-].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: 7.7747 ± 0.0006 Å
• b: 8.2003 ± 0.0005 Å
• c: 8.8496 ± 0.0008 Å
• α: 96.823 ± 0.006°
• β: 113.416 ± 0.008°
• γ: 109.189 ± 0.006°
• Cell volume: 468.29 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No