Information card for entry 4088357

Structure parameters

• Formula: C27 H43 Cl6 N Zr
• Calculated formula: C27 H43 Cl6 N Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9([cH]1[cH]2[cH]3[cH]49)C(C)(C)C(C)(C)C(=[NH2+])C(C)(C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands
• Authors of publication: Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 785
• a: 13.3356 ± 0.0004 Å
• b: 14.9358 ± 0.0004 Å
• c: 17.9026 ± 0.0004 Å
• α: 102.292 ± 0.001°
• β: 91.094 ± 0.001°
• γ: 113.166 ± 0.001°
• Cell volume: 3182.07 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No