Information card for entry 7053792

Structure parameters

• Common name: 1',2-bis(diphenylphosphanyl)ferrrocene-1-carboxylic acid
• Chemical name: 1',2-bis(diphenylphosphanyl)ferrrocene-1-carboxylic acid
• Formula: C35 H28 Fe O2 P2
• Calculated formula: C35 H28 Fe O2 P2
• Title of publication: Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues
• Authors of publication: Lamač, Martin; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1549
• a: 9.0484 ± 0.0002 Å
• b: 17.9216 ± 0.0003 Å
• c: 8.8899 ± 0.0002 Å
• α: 90°
• β: 95.942 ± 0.001°
• γ: 90°
• Cell volume: 1433.86 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No