Information card for entry 7016877

Structure parameters

• Formula: C34 H28 Cl2 Fe Mn O2 P2
• Calculated formula: C34 H28 Cl2 Fe Mn O2 P2
• SMILES: [Mn]1(Cl)(Cl)[O]=P([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(P(=[O]1)(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1
• Title of publication: Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).
• Authors of publication: Zhang, Wenhua; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10725 - 10730
• a: 10.066 ± 0.004 Å
• b: 16.609 ± 0.007 Å
• c: 18.436 ± 0.008 Å
• α: 90°
• β: 96.426 ± 0.009°
• γ: 90°
• Cell volume: 3063 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No