Information card for entry 7006435

Structure parameters

• Chemical name: Tetracarbonyl(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)molybdenum(0) dichloromethane solvate
• Formula: C50 H36 Cl2 Mo O6 P2
• Calculated formula: C50 H36 Cl2 Mo O6 P2
• SMILES: [Mo]1([P](Oc2ccc3ccccc3c2Cc2c3ccccc3ccc2O[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.
• Authors of publication: Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 10
• Pages of publication: 1322 - 1330
• a: 10.7256 ± 0.0007 Å
• b: 11.4602 ± 0.0008 Å
• c: 17.609 ± 0.001 Å
• α: 77.918 ± 0.001°
• β: 83.014 ± 0.001°
• γ: 88.284 ± 0.001°
• Cell volume: 2100.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0657
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No