Information card for entry 4339605

Structure parameters

• Formula: C43 H40 Cl2 F18 N6 Zr
• Calculated formula: C44 H36 Cl2 F18 N6 Zr
• Title of publication: Tris(pyrrolyl-alpha-methyl)amines that sterically protect a trigonal metal site.
• Authors of publication: Wampler, Keith M.; Schrock, Richard R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8463 - 8465
• a: 16.3812 ± 0.0014 Å
• b: 17.2603 ± 0.0014 Å
• c: 19.6557 ± 0.0016 Å
• α: 96.372 ± 0.001°
• β: 106.99 ± 0.001°
• γ: 110.036 ± 0.001°
• Cell volume: 4853.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.076
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No