Information card for entry 4077213

Structure parameters

• Formula: C82 H164 Mg6 N10 O24
• Calculated formula: C82 H164 Mg6 N10 O24
• SMILES: [Mg]123[O]45[Mg]67(OC(=[O]1)N(C(C)C)C(C)C)[O]1=C([O]8[Mg]9%10([O]=C(O6)N(C(C)C)C(C)C)OC(=[O]7[Mg]65(OC(=[O]3)N(C(C)C)C(C)C)[O]3C(=[O][Mg]8([O]=C(O[Mg]413[O]=C(O2)N(C(C)C)C(C)C)N(C(C)C)C(C)C)([O]9C(=[O]6)N(C(C)C)C(C)C)[O]=C(O%10)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 14.8404 ± 0.0003 Å
• b: 22.4052 ± 0.0005 Å
• c: 31.4608 ± 0.0006 Å
• α: 90°
• β: 96.481 ± 0.001°
• γ: 90°
• Cell volume: 10393.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1244
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections: 0.1782
• Weighted residual factors for significantly intense reflections: 0.1434
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No