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Information card for entry 7205704
Preview
Coordinates | 7205704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H84 Cu12 I12 S12 |
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Calculated formula | C60 H84 Cu12 I12 S12 |
Title of publication | Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers |
Authors of publication | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 2578 |
a | 11.1804 ± 0.0009 Å |
b | 17.3956 ± 0.0014 Å |
c | 25.706 ± 0.002 Å |
α | 107.456 ± 0.001° |
β | 90.016 ± 0.002° |
γ | 95.251 ± 0.001° |
Cell volume | 4747.3 ± 0.7 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0804 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180388 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/57. |
7205704.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205704.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205704.cif |
20993 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205703, 7205704, 7205705, 7205706 via cif-deposit CGI script. |
7205704.cif |
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Users of the data should acknowledge the original authors of the
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