Information card for entry 7032577

Structure parameters

• Formula: C23 H36 Si Zr
• Calculated formula: C23 H36 Si Zr
• SMILES: [cH]12[cH]3[cH]4[cH]5[Zr]6789%10%11134([c]1([Si](C)(C)C)[c]6([c]7(C(C)C)[c]%11([c]%101C)C(C)C)C)[cH]2[cH]8[cH]59
• Title of publication: How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.
• Authors of publication: Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15818 - 15828
• a: 14.3913 ± 0.0002 Å
• b: 14.1131 ± 0.0002 Å
• c: 21.5608 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4379.12 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No