Information card for entry 7113897

Structure parameters

• Formula: C42 H74 Ca N3 O Si2
• Calculated formula: C42 H74 Ca N3 O Si2
• Title of publication: Lactide polymerization by well-defined calcium coordination complexes: comparisons with related magnesium and zinc chemistry
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith; Phomphrai, Khamphee
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 48 - 49
• a: 11.912 ± 0.0001 Å
• b: 13.2215 ± 0.0001 Å
• c: 16.8877 ± 0.0001 Å
• α: 70.15 ± 0.001°
• β: 80.422 ± 0.001°
• γ: 63.507 ± 0.001°
• Cell volume: 2238.64 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.1362
• Weighted residual factors for significantly intense reflections: 0.1261
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103623
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No