Information card for entry 7016878

Structure parameters

• Formula: C34 H28 Cl2 Co Fe O2 P2
• Calculated formula: C34 H28 Cl2 Co Fe O2 P2
• SMILES: [Fe]123456789[c]%10(P(=[O][Co](Cl)(Cl)[O]=P([c]%115[cH]9[cH]8[cH]7[cH]6%11)(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[cH]1[cH]2[cH]3[cH]4%10
• 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: 11.6658 ± 0.0006 Å
• b: 14.1127 ± 0.0007 Å
• c: 19.1893 ± 0.0009 Å
• α: 90°
• β: 92.593 ± 0.001°
• γ: 90°
• Cell volume: 3156 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1043
• 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