Information card for entry 2228795

Structure parameters

• Chemical name: Chlorido(η^5^-cyclopentadienyl)[(4a,4b,8a,9,9a-η)- fluorenyl](fluorenyl-κ<i>C</i>^9^)zirconium(IV) toluene solvate
• Formula: C38 H31 Cl Zr
• Calculated formula: C38 H31 Cl Zr
• SMILES: Cl[Zr]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)(C1c2ccccc2c2ccccc12)[cH]1[c]25[c]6(cccc2)[c]27[c]81cccc2.c1(ccccc1)C
• Title of publication: Chlorido(η^5^-cyclopentadienyl)[(4a,4b,8a,9,9a-η)-fluorenyl](fluorenyl-κ<i>C</i>^9^)zirconium(IV) toluene solvate
• Authors of publication: Łapczuk-Krygier, Agnieszka; Ponikiewski, Łukasz; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m54
• a: 9.3091 ± 0.0004 Å
• b: 10.7937 ± 0.0004 Å
• c: 15.1219 ± 0.0008 Å
• α: 77.231 ± 0.004°
• β: 81.966 ± 0.004°
• γ: 74.135 ± 0.004°
• Cell volume: 1420.31 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes