Information card for entry 7027247

Structure parameters

• Formula: C46 H64 Cr N2 O2
• Calculated formula: C46 H64 Cr N2 O2
• SMILES: [NH]1(Cc2cc(C(C)(C)C)cc(c2O[Cr]21[NH](Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c(cccc1C)C)C(C)(C)C)c1c(cccc1C)C
• Title of publication: Chromium ethylene polymerisation catalysts bearing reduced Schiff-base N,O-chelate ligands
• Authors of publication: Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 827
• a: 13.645 ± 0.005 Å
• b: 18.382 ± 0.004 Å
• c: 17.243 ± 0.008 Å
• α: 90°
• β: 102.73 ± 0.02°
• γ: 90°
• Cell volume: 4219 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No