Information card for entry 4347660

Structure parameters

• Formula: C36 H56 Fe2 N6 P2
• Calculated formula: C36 H56 Fe2 N6 P2
• SMILES: C(C)(C)P(C(C)C)N1[Fe]([n]2ccc(N(C)C)cc2)(N([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]31[cH]9[cH]8[cH]7[cH]23)P(C(C)C)C(C)C)[n]1ccc(N(C)C)cc1
• 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: 21.5781 ± 0.0011 Å
• b: 10.6543 ± 0.0005 Å
• c: 17.4825 ± 0.0008 Å
• α: 90°
• β: 112.232 ± 0.001°
• γ: 90°
• Cell volume: 3720.4 ± 0.3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No