Information card for entry 4347661

Structure parameters

• Formula: C44 H72 Fe4 N4 P4
• Calculated formula: C44 H72 Fe4 N4 P4
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)N2[Fe](N1P(C(C)C)C(C)C)[P](N1[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)N(P(C(C)C)C(C)C)[Fe]1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.
• Authors of publication: Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 4059 - 4067
• a: 10.3912 ± 0.0008 Å
• b: 12.2273 ± 0.001 Å
• c: 19.1171 ± 0.0015 Å
• α: 90°
• β: 96.112 ± 0.002°
• γ: 90°
• Cell volume: 2415.1 ± 0.3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No