Information card for entry 7027353

Structure parameters

• Formula: C29 H39 Cl2 Cr N3
• Calculated formula: C29 H39 Cl2 Cr N3
• SMILES: [Cr](Cl)(Cl)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: Synthesis and characterisation of 2,6-diisopropylphenylimido complexes of chromium in oxidation states IV‒VI
• Authors of publication: Chew, Kong Chin; Clegg, William; Coles, Martyn P.; Elsegood, Mark R. J.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2633
• a: 10.465 ± 0.003 Å
• b: 8.896 ± 0.002 Å
• c: 31.961 ± 0.008 Å
• α: 90°
• β: 98.45 ± 0.03°
• γ: 90°
• Cell volume: 2943.2 ± 1.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No