Information card for entry 2006705

Structure parameters

• Chemical name: trans-Tetracarbonylbis[tris(4-chlorophenyl)phosphine]molybdenum(0)
• Formula: C40 H24 Cl6 Mo O4 P2
• Calculated formula: C40 H24 Cl6 Mo O4 P2
• SMILES: [O]#C[Mo]([P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)([P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(C#[O])(C#[O])C#[O]
• Title of publication: <i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0)
• Authors of publication: Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1543 - 1545
• a: 10.725 ± 0.001 Å
• b: 11.126 ± 0.002 Å
• c: 18.368 ± 0.003 Å
• α: 93.41 ± 0.01°
• β: 90.05 ± 0.01°
• γ: 112.61 ± 0.01°
• Cell volume: 2019.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 0.81
• Goodness-of-fit parameter for significantly intense reflections: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No