Information card for entry 7018014

Structure parameters

• Common name: Chisholm 1755
• Formula: C58 H84 Mo2 O12 Se2
• Calculated formula: C58 H84 Mo2 O12 Se2
• Title of publication: Furan- and selenophene-2-carboxylato derivatives of dimolybdenum and ditungsten (M[quadruple bond, length as m-dash]M): a comparison of their chemical and photophysical properties.
• Authors of publication: Brown-Xu, Samantha E; Chisholm, Malcolm H.; Gallucci, Judith C.; Ghosh, Yagnaseni; Gustafson, Terry L.; Reed, Carly R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2257 - 2263
• a: 28.6622 ± 0.0002 Å
• b: 28.6622 ± 0.0002 Å
• c: 14.9089 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12248 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No