Information card for entry 4076527

Structure parameters

• Formula: C43 H57 B Fe O2 P
• Calculated formula: C43 H57 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: 10.44 ± 0.0001 Å
• b: 15.394 ± 0.0001 Å
• c: 25.112 ± 0.0003 Å
• α: 90°
• β: 99.131 ± 0.001°
• γ: 90°
• Cell volume: 3984.69 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No