Information card for entry 7042798

Structure parameters

• Formula: C54 H46 Fe2 Ni3 P4
• Calculated formula: C54 H46 Fe2 Ni3 P4
• 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(c2ccccc2)[Ni]2([P]3(c3ccccc3)[Ni]34561[cH]1[cH]4[cH]5[cH]6[cH]31)[P]1([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]9[cH]%10[cH]84)[P]2(c2ccccc2)[Ni]23451[cH]1[cH]5[cH]4[cH]3[cH]21)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: 10.126 ± 0.003 Å
• b: 11.395 ± 0.003 Å
• c: 12.124 ± 0.003 Å
• α: 103.436 ± 0.019°
• β: 106.865 ± 0.019°
• γ: 115.18 ± 0.018°
• Cell volume: 1104.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1853
• Residual factor for significantly intense reflections: 0.1439
• Weighted residual factors for significantly intense reflections: 0.3669
• Weighted residual factors for all reflections included in the refinement: 0.4285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No