Information card for entry 7042801

Structure parameters

• Formula: C38 H34 Fe Ni2 P2
• Calculated formula: C38 H34 Fe Ni2 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)[Ni]3456([cH]7[cH]6[cH]5[cH]4[cH]37)[P]2(c2ccccc2)[Ni]23451[cH]1[cH]3[cH]2[cH]4[cH]51.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: 12.0027 ± 0.0004 Å
• b: 9.7307 ± 0.0004 Å
• c: 27.0982 ± 0.0008 Å
• α: 90°
• β: 90.452 ± 0.002°
• γ: 90°
• Cell volume: 3164.83 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No