Information card for entry 7003778

Structure parameters

• Formula: C46 H78 I2 N4 O5 Sr2
• Calculated formula: C46 H78 I2 N4 O5 Sr2
• 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: 10.4224 ± 0.0009 Å
• b: 17.5826 ± 0.001 Å
• c: 14.7213 ± 0.0011 Å
• α: 90°
• β: 94.414 ± 0.006°
• γ: 90°
• Cell volume: 2689.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No