Information card for entry 7027356

Structure parameters

• Formula: C48 H68 Cl2 Cr2 N4
• Calculated formula: C48 H68 Cl2 Cr2 N4
• SMILES: [Cr]12([Cr](Cl)(N1c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)N2c1c(cccc1C(C)C)C(C)C)(Cl)=Nc1c(cccc1C(C)C)C(C)C
• 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: 12.483 ± 0.002 Å
• b: 19.584 ± 0.003 Å
• c: 40.908 ± 0.005 Å
• α: 90°
• β: 92.598 ± 0.01°
• γ: 90°
• Cell volume: 9990 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.1792
• Weighted residual factors for significantly intense reflections: 0.1273
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No