Information card for entry 7021945

Structure parameters

• Common name: chisholm1939
• Formula: C54 H72 Mo2 O10
• Calculated formula: C54 H72 Mo2 O10
• Title of publication: Modulating the M2δ-to-ligand charge transfer transition by the use of diarylboron substituents.
• Authors of publication: Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14491 - 14497
• a: 10.2136 ± 0.0002 Å
• b: 10.3526 ± 0.0002 Å
• c: 12.6092 ± 0.0002 Å
• α: 83.067 ± 0.001°
• β: 80.817 ± 0.001°
• γ: 84.888 ± 0.001°
• Cell volume: 1303.23 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No