Information card for entry 7031417

Structure parameters

• Formula: C68.6 H189.21 Mg6 Mo22 N12 O94
• Calculated formula: C68.6 H189.2 Mg6 Mo22 N12 O94
• 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: 16.983 ± 0.002 Å
• b: 24.133 ± 0.003 Å
• c: 21.952 ± 0.003 Å
• α: 90°
• β: 90.464 ± 0.002°
• γ: 90°
• Cell volume: 8997 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No