Information card for entry 7012473

Structure parameters

• Formula: C35 H28 Cl2 Co Fe Mo O10 P
• Calculated formula: C35 H28 Cl2 Co Fe Mo O10 P
• SMILES: [Mo]123456([Co]7([P]([Fe]89%10%11(C#[O])(C#[O])[cH]%12[cH]8[cH]9[cH]%10[cH]%11%12)(c8ccccc8)c8ccccc8)(C#[O])(C#[O])[C]1(C(=O)OC)=[C]27C(=O)OC)(C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.C(Cl)Cl
• Title of publication: Reaction of metallophosphanide anions with MLnX (X = halide) species as a simple route to heterometallic transition metal complexes
• Authors of publication: Birte Ahrens; Jacqueline M. Cole; Jonathan P. Hickey; James N. Martin; Martin J. Mays; Paul R. Raithby; Simon J. Teat; Anthony D. Woods
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1389 - 1395
• a: 10.3658 ± 0.0004 Å
• b: 10.71 ± 0.0004 Å
• c: 18.1348 ± 0.0006 Å
• α: 81.443 ± 0.002°
• β: 80.052 ± 0.002°
• γ: 66.061 ± 0.002°
• Cell volume: 1805.49 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No