Information card for entry 7031418

Structure parameters

• Formula: C24 H64 Mg2 Mo6 N4 O28
• Calculated formula: C24 H64 Mg2 Mo6 N4 O28
• SMILES: C[O]12[Mo]3456(=O)[O]7[Mo]89%10(=O)([O]4[Mo]42%10(=O)(O8)[O](C)[Mo]([O]4C)(=O)(=O)([O](C)[Mg]1([O]3C)([O]=CN(C)C)[O]=CN(C)C)OC)[O]1(C)[Mg]([O]9C)([O](C)[Mo]2([O](C)[Mo]671(=O)(O5)[O]2C)(=O)(=O)OC)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.
• Authors of publication: Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12876
• a: 9.6698 ± 0.0006 Å
• b: 11.2114 ± 0.0007 Å
• c: 13.5351 ± 0.0008 Å
• α: 100.797 ± 0.001°
• β: 104.167 ± 0.001°
• γ: 114.359 ± 0.001°
• Cell volume: 1225.11 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No