Information card for entry 4077210

Structure parameters

• Formula: C60 H120 Mg6 N12 O24
• Calculated formula: C60 H120 Mg6 N12 O24
• SMILES: C1(N(CC)CC)=[O][Mg]23[O]4C(=[O]5[Mg]67[O]=C(N(CC)CC)O[Mg]895[O]=C(N(CC)CC)O[Mg]([O]=C(N(CC)CC)O2)([O]3=C(N(CC)CC)[O]7[Mg]23(OC(=[O][Mg]4(O1)([O]=C(N(CC)CC)O3)[O]=C(N(CC)CC)O2)N(CC)CC)[O]=C(N(CC)CC)O6)(OC(=[O]8)N(CC)CC)[O]=C(N(CC)CC)O9)N(CC)CC
• 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: 20.948 ± 0.0003 Å
• b: 25.1843 ± 0.0001 Å
• c: 16.2816 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8589.53 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.185
• Weighted residual factors for significantly intense reflections: 0.1593
• Goodness-of-fit parameter for all reflections: 0.953
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No