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Information card for entry 7027354
Preview
Coordinates | 7027354.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H52 Cl Cr N3 |
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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 Å3 |
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 |
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