Information card for entry 7031184

Structure parameters

• Formula: C52 H56 Cl6 Na2 O10 Zr
• Calculated formula: C52 H56 Cl6 Na2 O10 Zr
• Title of publication: Homoleptic phenolate complexes of zirconium(iv): syntheses and structural characterization of the first six coordinate complexes
• Authors of publication: Rosen, Thomas C.; Kirschbaum, Kristin; Giolando, Dean M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 120
• a: 10.8102 ± 0.0002 Å
• b: 12.1126 ± 0.0003 Å
• c: 12.2598 ± 0.0002 Å
• α: 111.212 ± 0.001°
• β: 109.659 ± 0.001°
• γ: 96.699 ± 0.001°
• Cell volume: 1356.35 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No