Information card for entry 7051272

Structure parameters

• Formula: C16 H16 B Fe P
• Calculated formula: C16 H16 B Fe P
• SMILES: [Fe]23456789%10[cH]1[cH]2[cH]3[cH]4[c]51[P]([BH3])([c]16[cH]7[cH]8[cH]9[cH]%101)c1ccccc1
• Title of publication: Synthesis, structure and polymerization behaviour of borane adducts of a phosphorus-bridged [1]ferrocenophane, [(η-C5H4)2FePPh]
• Authors of publication: Evans, Chris E. B.; Lough, Alan J.; Grondey, Hiltrud; Manners, Ian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 447
• a: 7.4376 ± 0.0003 Å
• b: 8.9729 ± 0.0004 Å
• c: 11.9365 ± 0.0005 Å
• α: 73.754 ± 0.002°
• β: 83.435 ± 0.002°
• γ: 66.728 ± 0.002°
• Cell volume: 702.56 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No