Information card for entry 7042800

Structure parameters

• Formula: C38 H50 F12 Fe N6 P2 Zr2
• Calculated formula: C38 H50 F12 Fe N6 P2 Zr2
• 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: 41.181 ± 0.003 Å
• b: 12.8318 ± 0.0013 Å
• c: 18.59 ± 0.0015 Å
• α: 90°
• β: 108.288 ± 0.006°
• γ: 90°
• Cell volume: 9327.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No