Information card for entry 7003780

Structure parameters

• Formula: C45 H55 Ca N3 O2 P2
• Calculated formula: C45 H55 Ca N3 O2 P2
• 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: 11.2102 ± 0.0006 Å
• b: 20.3384 ± 0.0011 Å
• c: 19.142 ± 0.0011 Å
• α: 90°
• β: 102.373 ± 0.004°
• γ: 90°
• Cell volume: 4263 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No