Information card for entry 7042803

Structure parameters

• Formula: C92 H118 Fe3 Ni6 O2 P6
• Calculated formula: C92 H118 Fe3 Ni6 O2 P6
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[P]1(C(C)(C)C)[Ni]2456([cH]7[cH]2[cH]4[cH]5[cH]67)[P]3(C(C)(C)C)[Ni]23451[cH]1[cH]2[cH]3[cH]4[cH]51.[OH]1[Ni]2([P]3([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5([P]2(C(C)(C)C)[Ni]26783[cH]3[cH]2[cH]7[cH]8[cH]63)[cH]4[cH]%11[cH]9[cH]%105)C(C)(C)C)[OH][Ni]21[P]1([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([P]2(C(C)(C)C)[Ni]25671[cH]1[cH]2[cH]6[cH]7[cH]51)[cH]3[cH]9[cH]%10[cH]84)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines
• Authors of publication: Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.1479 ± 0.0004 Å
• b: 18.7714 ± 0.0006 Å
• c: 45.1642 ± 0.0019 Å
• α: 90°
• β: 96.353 ± 0.003°
• γ: 90°
• Cell volume: 8550.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No