Information card for entry 1555290

Structure parameters

• Formula: C43 H47 N O4 P2 W
• Calculated formula: C43 H47 N O4 P2 W
• SMILES: [CH2]1=[CH2][W]231(C#[O])(C#[O])[n]1c(cccc1C[P]2(c1ccccc1)c1ccccc1)C[P]3(c1ccccc1)c1ccccc1.C1OCCC1.C1OCCC1
• 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: 11.1247 ± 0.0005 Å
• b: 11.9967 ± 0.0006 Å
• c: 14.6407 ± 0.0007 Å
• α: 100.37 ± 0.002°
• β: 100.905 ± 0.002°
• γ: 90.773 ± 0.002°
• Cell volume: 1885.03 ± 0.16 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: 0.0275
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No