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Information card for entry 8104716
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Coordinates | 8104716.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H60 Cl2 Cu N12 |
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Calculated formula | C36 H60 Cl2 Cu N12 |
Title of publication | The crystal structure of hexakis(1-propylimidazole-κ1 N)copper(II) dichloride, C36H60Cl2CuN12 |
Authors of publication | He, Qingpeng; Liu, Gang; Xue, Zechun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 4 |
Pages of publication | 799 - 801 |
a | 8.3112 ± 0.0002 Å |
b | 15.9513 ± 0.0004 Å |
c | 17.1068 ± 0.0004 Å |
α | 90° |
β | 99.671 ± 0.002° |
γ | 90° |
Cell volume | 2235.69 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0598 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1505 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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273593 (current) | 2022-03-10 | cif/ Adding structures of 8104716 via cif-deposit CGI script. |
8104716.cif |
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Users of the data should acknowledge the original authors of the
structural data.