Information card for entry 7027357

Structure parameters

• Formula: C34 H49 Cr N4 P
• Calculated formula: C34 H49 Cr N4 P
• SMILES: [Cr]([P](C)(C)C)(=N/N=C/c1ccccc1)(=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: 9.9487 ± 0.0007 Å
• b: 18.5847 ± 0.0007 Å
• c: 18.7972 ± 0.0007 Å
• α: 90°
• β: 90.884 ± 0.004°
• γ: 90°
• Cell volume: 3475.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.1327
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No