Information card for entry 7042797

Structure parameters

• Formula: C34 H50 Fe Li2 N4 P2
• Calculated formula: C34 H50 Fe Li2 N4 P2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P]1(c3ccccc3)[Li]3([N](CC[N]3(C)C)(C)C)[P]2(c2ccccc2)[Li]21[N](CC[N]2(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: 10.8879 ± 0.0008 Å
• b: 12.9242 ± 0.0008 Å
• c: 14.9695 ± 0.001 Å
• α: 101.557 ± 0.005°
• β: 91.535 ± 0.006°
• γ: 111.792 ± 0.005°
• Cell volume: 1904.4 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No