Information card for entry 4075871

Structure parameters

• Formula: C27 H23 P3
• Calculated formula: C27 H23 P3
• SMILES: P1(P([C@H]2[C@@H](P1)Cc1c2cccc1)C1=Cc2ccccc2C1)C1=Cc2c(C1)cccc2.P1(P([C@@H]2[C@H](P1)Cc1c2cccc1)C1=Cc2ccccc2C1)C1=Cc2c(C1)cccc2
• 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: 29.717 ± 0.01 Å
• b: 11.72 ± 0.003 Å
• c: 6.498 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2263.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No