Information card for entry 1555287

Structure parameters

• Formula: C43 H47 Mo N O4 P2
• Calculated formula: C43 H47 Mo N O4 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)Cc2cccc3C[P](c4ccccc4)(c4ccccc4)[Mo]41(C#[O])(C#[O])([CH2]=[CH2]4)[n]23.C1COCC1.C1CCCO1
• Title of publication: Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands
• Authors of publication: Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 37
• Pages of publication: 8541
• a: 11.1529 ± 0.001 Å
• b: 12.0142 ± 0.0012 Å
• c: 14.645 ± 0.0015 Å
• α: 100.12 ± 0.004°
• β: 101.056 ± 0.004°
• γ: 90.987 ± 0.004°
• Cell volume: 1893.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No