Information card for entry 4076526

Structure parameters

• Formula: C35.5 H41.5 B Fe O2 P
• Calculated formula: C35.5 H41.5 B Fe O2 P
• Title of publication: Synthesis and Crystal Structures ofP-Iron-Substituted Phosphinoborane Monomers
• Authors of publication: Kubo, Kazuyuki; Kawanaka, Tomohiro; Tomioka, Masao; Mizuta, Tsutomu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2026
• a: 11.6059 ± 0.0013 Å
• b: 12.6911 ± 0.0015 Å
• c: 21.79 ± 0.003 Å
• α: 86.175 ± 0.001°
• β: 80.838 ± 0.001°
• γ: 86.113 ± 0.002°
• Cell volume: 3156.2 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0481
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No