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Information card for entry 8102168
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Coordinates | 8102168.cif |
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Chemical name | bis(η^5^-6,6-dimethylcyclohexadienyl)chromium |
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Formula | C16 H22 Cr |
Calculated formula | C16 H22 Cr |
SMILES | [Cr]12345678([CH]9=[CH]1[CH]2=[CH]3C4C9(C)C)[CH]1=[CH]5[CH]6=[CH]7C8C1(C)C |
Title of publication | Crystal structure of bis(η^5^-6,6-dimethylcyclohexadienyl)chromium, Cr(C~8~H~11~)~2~ |
Authors of publication | Ernst, Richard D.; Basta, Rehan; Arif, Atta M. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2007 |
Journal volume | 222 |
Journal issue | 3 |
Pages of publication | 335 - 336 |
a | 7.6112 ± 0.0002 Å |
b | 9.2521 ± 0.0004 Å |
c | 20.2174 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1423.7 ± 0.1 Å3 |
Cell temperature | 200 ± 0.1 K |
Ambient diffraction temperature | 200 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0837 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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