Information card for entry 7031348

Structure parameters

• Formula: C54 H70 Mo2 N2 O14
• Calculated formula: C54 H70 Mo2 N2 O14
• Title of publication: 4-Nitrophenyl- and 4'-nitro-1,1'-biphenyl-4-carboxylates attached to Mo2 quadruple bonds: ground versus excited state M2δ-ligand conjugation.
• Authors of publication: Alberding, Brian G.; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.; Ghosh, Yagnaseni; Spilker, Thomas F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11397 - 11403
• a: 10.6152 ± 0.0001 Å
• b: 10.0959 ± 0.0001 Å
• c: 25.9337 ± 0.0002 Å
• α: 90°
• β: 94°
• γ: 90°
• Cell volume: 2772.54 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No