Information card for entry 4077208

Structure parameters

• Formula: C36 H78 Mg3 N6 O14 P2
• Calculated formula: C36 H78 Mg3 N6 O14 P2
• SMILES: C1(C(C)C)=[O][Mg]234(OC(=[O][Mg](O1)([O]=P(N(C)C)(N(C)C)N(C)C)OC(=[O]2)C(C)C)C(C)C)OC(C(C)C)=[O][Mg](OC(C(C)C)=[O]3)(OC(=[O]4)C(C)C)[O]=P(N(C)C)(N(C)C)N(C)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: 24.5444 ± 0.0005 Å
• b: 11.5108 ± 0.0001 Å
• c: 18.7256 ± 0.0004 Å
• α: 90°
• β: 91.101 ± 0.001°
• γ: 90°
• Cell volume: 5289.49 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections: 0.1708
• Weighted residual factors for significantly intense reflections: 0.1536
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No