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Information card for entry 8106416
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Coordinates | 8106416.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H42 Br2 N4 Pd |
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Calculated formula | C31 H42 Br2 N4 Pd |
Title of publication | The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd |
Authors of publication | Yin, Shun-Chao; Zhou, Yong-Fang; Li, Ye; Qian, Peng-Cheng |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 1 |
Pages of publication | 15 - 18 |
a | 12.3093 ± 0.0014 Å |
b | 15.2805 ± 0.0018 Å |
c | 20.3205 ± 0.0017 Å |
α | 90° |
β | 112.213 ± 0.005° |
γ | 90° |
Cell volume | 3538.5 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0668 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1446 |
Weighted residual factors for all reflections included in the refinement | 0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
280145 (current) | 2023-01-06 | cif/ Adding structures of 8106416 via cif-deposit CGI script. |
8106416.cif |
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