Information card for entry 4082055

Structure parameters

• Formula: C42 H54 Cl2 Mo2 O8 P2
• Calculated formula: C42 H54 Cl2 Mo2 O8 P2
• Title of publication: Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex
• Authors of publication: Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6178
• a: 14.3294 ± 0.0004 Å
• b: 23.0287 ± 0.0005 Å
• c: 27.1137 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8947.2 ± 0.4 ų
• Cell temperature: 122.9 ± 0.3 K
• Ambient diffraction temperature: 122.9 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No