Information card for entry 2201560

Structure parameters

• Formula: C33 H38 Co N3 O6
• Calculated formula: C33 H38 Co N3 O6
• SMILES: [Co]1234([N](C)(Cc5c(ccc6ccccc56)O1)CC(=O)O3)[N](Cc1c(ccc3ccccc13)O2)(CC(=O)O4)C.[NH2+]1CCCCC1
• Title of publication: A comparative study of the interactions of cobalt(III) with naphtholate and phenolate moieties
• Authors of publication: Shongwe, Musa S.; Al-Juma, Shaima A.; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m457 - m459
• a: 10.13 ± 0.002 Å
• b: 11.778 ± 0.002 Å
• c: 13.065 ± 0.003 Å
• α: 99.608 ± 0.004°
• β: 90.336 ± 0.005°
• γ: 100.351 ± 0.004°
• Cell volume: 1510.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0996
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes