Information card for entry 4077209

Structure parameters

• Formula: C30 H72 Mg3 N12 O14 P2
• Calculated formula: C30 H72 Mg3 N12 O14 P2
• SMILES: CN(P(N(C)C)(N(C)C)=[O][Mg]12[O]=C(N(C)C)O[Mg]34([O]=C(O1)N(C)C)([O]=C(N(C)C)O[Mg]([O]=P(N(C)C)(N(C)C)N(C)C)([O]=C(N(C)C)O3)OC(=[O]4)N(C)C)[O]=C(N(C)C)O2)C
• 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: 9.4391 ± 0.0003 Å
• b: 11.0815 ± 0.0004 Å
• c: 23.5656 ± 0.0008 Å
• α: 90°
• β: 91.777 ± 0.001°
• γ: 90°
• Cell volume: 2463.76 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1623
• Weighted residual factors for significantly intense reflections: 0.1534
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No