Information card for entry 7007609

Structure parameters

• Formula: C61 H108 Ca N6 O2
• Calculated formula: C61 H108 Ca N6 O2
• Title of publication: Coordination complexes bearing potentially tetradentate phenoxyamine ligands.
• Authors of publication: Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 5014 - 5023
• a: 10.8234 ± 0.001 Å
• b: 12.9659 ± 0.0012 Å
• c: 13.137 ± 0.0011 Å
• α: 110.331 ± 0.008°
• β: 107.408 ± 0.008°
• γ: 100.882 ± 0.008°
• Cell volume: 1558.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1908
• Residual factor for significantly intense reflections: 0.1754
• Weighted residual factors for significantly intense reflections: 0.3555
• Weighted residual factors for all reflections included in the refinement: 0.3674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No