Information card for entry 4075873

Structure parameters

• Formula: C42 H56 Cl2 P2 Zr
• Calculated formula: C42 H56 Cl2 P2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9([cH]4[c]43cccc[c]24[cH]19)P(C1CCCCC1)C1CCCCC1)[c]1([cH]8[c]27[c]6([cH]51)cccc2)P(C1CCCCC1)C1CCCCC1
• 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: 10.8977 ± 0.0011 Å
• b: 10.9949 ± 0.0015 Å
• c: 16.459 ± 0.002 Å
• α: 78.178 ± 0.004°
• β: 79.98 ± 0.004°
• γ: 76.357 ± 0.004°
• Cell volume: 1859.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No