Information card for entry 2009800

Structure parameters

• Chemical name: hexacarbonyl-1κ^4^C,2κ^2^C-η^5^-cyclopentadienyl-2κC-bis-μ- diphenylphosphanido-1κ^2^P:2κ^2^P-manganesetungsten
• Formula: C35 H25 Mn O6 P2 W
• Calculated formula: C35 H25 Mn O6 P2 W
• SMILES: [W](C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([P]1(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)[Mn]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Hexacarbonylcyclopentadienyl-bis-μ-diphenylphosphanido-manganesetungsten, [MnW(C~12~H~10~P)~2~(C~5~H~5~)(CO)~6~]
• Authors of publication: Flörke, Ulrich; Haupt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 874 - 876
• a: 18.672 ± 0.001 Å
• b: 18.672 ± 0.001 Å
• c: 40.104 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13982 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.1447
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No