Information card for entry 7042804

Structure parameters

• Formula: C52 H92 Fe2 Li4 N4 P4
• Calculated formula: C52 H92 Fe2 Li4 N4 P4
• SMILES: [P]12([Li]34)(CC(C)(C)C)[c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[c]6([cH]5[cH]%10[cH]%11[cH]%126)[P]3(CC(C)(C)C)[Li]3([N](CC[N]3(C)(C))(C)C)[P]4([Li]31)(CC(C)(C)C)[c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[c]4([cH]1[cH]8[cH]9[cH]%104)[P]3(CC(C)(C)C)[Li]12[N](CC[N]1(C)(C))(C)C
• 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: 10.5717 ± 0.0009 Å
• b: 10.944 ± 0.0009 Å
• c: 13.6502 ± 0.001 Å
• α: 70.253 ± 0.006°
• β: 80.074 ± 0.006°
• γ: 89.001 ± 0.007°
• Cell volume: 1462.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No