Information card for entry 4000317

Structure parameters

• Formula: C39 H49 Co N3 O2
• Calculated formula: C39 H49 Co N3 O2
• SMILES: CC(c1cccc(c1O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)Oc1c(cccc1C(C)C)C(C)C)C(C)C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 10.702 ± 0.002 Å
• b: 10.969 ± 0.002 Å
• c: 16.108 ± 0.003 Å
• α: 72.975 ± 0.003°
• β: 84.058 ± 0.003°
• γ: 81.564 ± 0.004°
• Cell volume: 1784.8 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No