Information card for entry 4075875

Structure parameters

• Formula: C26 H30 Cl2 P2 Zr
• Calculated formula: C26 H24 Cl2 P2 Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([cH]4[c]43cccc[c]24[cH]1%10)P(C(C)(C)C)P(C(C)(C)C)[c]15[cH]6[c]37cccc[c]83[cH]91
• 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: 10.1403 ± 0.0018 Å
• b: 11.598 ± 0.002 Å
• c: 21.762 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No