Information card for entry 4311732

Structure parameters

• Formula: C29 H41 Ca0.5 N2
• Calculated formula: C29 H41 Ca0.5 N2
• Title of publication: Well-Defined Calcium Initiators for Lactide Polymerization
• Authors of publication: Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6717 - 6725
• a: 19.513 ± 0.0002 Å
• b: 12.5265 ± 0.0001 Å
• c: 22.1472 ± 0.0002 Å
• α: 90°
• β: 100.28 ± 0.001°
• γ: 90°
• Cell volume: 5326.53 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.1209
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No