Information card for entry 4350548

Structure parameters

• Formula: C82 H72 F6 Fe2 Ni P5
• Calculated formula: C82 H56 F6 Fe2 Ni P5
• SMILES: [Ni]12([P]([c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[c]1([P]2(c2ccccc2)c2ccccc2)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Homoleptic complexes of cobalt(0) and nickel(0,I) with 1,1'-bis(diphenylphosphino)ferrocene (dppf): synthesis and characterization.
• Authors of publication: Pilloni, Giuseppe; Toffoletti, Antonio; Bandoli, Giuliano; Longato, Bruno
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10321 - 10328
• a: 24.21 ± 0.004 Å
• b: 21.279 ± 0.005 Å
• c: 27.345 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14087 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No