Information card for entry 4077212

Structure parameters

• Formula: C68 H84 Mg2 N10 O11 P2
• Calculated formula: C68 H84 Mg2 N10 O11 P2
• Title of publication: Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds
• Authors of publication: Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 126
• a: 10.7465 ± 0.0002 Å
• b: 18.7006 ± 0.0003 Å
• c: 18.1833 ± 0.0002 Å
• α: 90°
• β: 95.741 ± 0.001°
• γ: 90°
• Cell volume: 3635.9 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0793
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.1689
• Weighted residual factors for significantly intense reflections: 0.157
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No