Information card for entry 7027354

Structure parameters

• Formula: C36 H52 Cl Cr N3
• Calculated formula: C36 H52 Cl Cr N3
• SMILES: [Cr](Cl)(Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=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: 10.4714 ± 0.0011 Å
• b: 15.411 ± 0.002 Å
• c: 21.493 ± 0.002 Å
• α: 90°
• β: 94.707 ± 0.002°
• γ: 90°
• Cell volume: 3456.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.1177
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No