Information card for entry 7042807

Structure parameters

• Formula: C34 H54 Fe N6 P2 Zr2
• Calculated formula: C34 H54 Fe N6 P2 Zr2
• 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)[Zr](N(C)C)(N(C)C)(N(C)C)[P]3(c2ccccc2)[Zr]1(N(C)C)(N(C)C)N(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: 13.4517 ± 0.0004 Å
• b: 16.4468 ± 0.0004 Å
• c: 35.2138 ± 0.0013 Å
• α: 90°
• β: 98.545 ± 0.003°
• γ: 90°
• Cell volume: 7704.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No