Information card for entry 4075874

Structure parameters

• Formula: C22 H21 Cl2 P Zr
• Calculated formula: C22 H21 Cl2 P Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10(P([c]%115[cH]6[c]57[c]8(cccc5)[cH]9%11)C(C)(C)C)[cH]1[c]12cccc[c]31[cH]4%10
• 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: 8.5662 ± 0.0016 Å
• b: 20.264 ± 0.004 Å
• c: 11.765 ± 0.002 Å
• α: 90°
• β: 102.098 ± 0.004°
• γ: 90°
• Cell volume: 1996.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No