Information card for entry 7113885

Structure parameters

• Formula: C68 H86 O6 Si2 Zr
• Calculated formula: C68 H86 O6 Si2 Zr
• SMILES: [Zr]123456(Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)[c]72[cH]3[cH]4[c]25[c]67cccc2)(Oc2c([Si](C)(C)C)cc3ccccc3c2c2c(O1)c([Si](C)(C)C)cc1ccccc21)([O]1CCCC1)[O]1CCCC1.O1CCCC1.c1(ccccc1)C
• Title of publication: Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/
• Authors of publication: Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1034
• a: 12.5231 ± 0.0003 Å
• b: 19.2231 ± 0.0004 Å
• c: 25.9127 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6238 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No