Information card for entry 7003779

Structure parameters

• Formula: C23 H31 Ca N3 O
• Calculated formula: C23 H31 Ca N3 O
• Title of publication: Aminotroponiminate calcium and strontium complexes
• Authors of publication: Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2839 - 2843
• a: 9.2527 ± 0.0008 Å
• b: 9.6709 ± 0.001 Å
• c: 13.0943 ± 0.0011 Å
• α: 85.627 ± 0.008°
• β: 77.814 ± 0.007°
• γ: 83.535 ± 0.008°
• Cell volume: 1136.36 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No