Information card for entry 4075872

Structure parameters

• Formula: C11 H16 Cl O2 P
• Calculated formula: C11 H16 Cl O2 P
• SMILES: [Cl-].[P+](O)(C1=Cc2c(cccc2)C1)(C)C.O
• Title of publication: Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments
• Authors of publication: Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 3024
• a: 13.044 ± 0.002 Å
• b: 10.5451 ± 0.0016 Å
• c: 9.0834 ± 0.0014 Å
• α: 90°
• β: 102.569 ± 0.003°
• γ: 90°
• Cell volume: 1219.5 ± 0.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.0607
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No