Information card for entry 1555288

Structure parameters

• Formula: C38 H39 Cl4 N O2 P2 W
• Calculated formula: C38 H39 Cl4 N O2 P2 W
• SMILES: [W]12345([P](Cc6[n]2c(C[P]1(c1ccccc1)c1ccccc1)ccc6)(c1ccccc1)c1ccccc1)([O]=[C]3=O)([CH2]=[CH2]4)[CH2]=[CH2]5.ClCCl.ClCCl
• 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: 35.714 ± 0.003 Å
• b: 16.098 ± 0.0013 Å
• c: 15.0574 ± 0.0012 Å
• α: 90°
• β: 111.571 ± 0.002°
• γ: 90°
• Cell volume: 8050.6 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No