Information card for entry 7011190

Structure parameters

• Formula: C77 H79 Fe Mn O P4
• Calculated formula: C77 H67 Fe Mn O P4
• SMILES: [Fe]123456789[c]%10([cH]4[c]3([P]([Mn]34%11%12(C#[O])([P]([c]%137[c]8(P(c7ccccc7)c7ccccc7)[cH]9[c]5([cH]6%13)C(C)(C)C)(c5ccccc5)c5ccccc5)[cH]5[cH]%12[cH]%11[cH]4[cH]35)(c3ccccc3)c3ccccc3)[c]2(P(c2ccccc2)c2ccccc2)[cH]1%10)C(C)(C)C.CCCCC
• Title of publication: Different coordination modes of a 1,1',2,2'-ferrocenyltetraphosphine: bi- and tri-dentate behaviour with group 6 and 7 transition metals
• Authors of publication: André-Bentabet, Emmanuelle; Broussier, Roland; Amardeil, Régine; Hierso, Jean-Cyrille; Richard, Philippe; Fasseur, Dominique; Gautheron, Bernard; Meunier, Philippe
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 2322
• a: 11.39 ± 0.003 Å
• b: 24.3 ± 0.008 Å
• c: 24.76 ± 0.013 Å
• α: 90°
• β: 102.91 ± 0.03°
• γ: 90°
• Cell volume: 6680 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2058
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No