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Information card for entry 4310174
Preview
| Coordinates | 4310174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl4 Cu4 S4 W |
|---|---|
| Calculated formula | Cl4 Cu4 S4 W |
| Title of publication | New Skeletal 3D Polymeric Inorganic Cluster [W4S16Cu16Cl16]n with Cu in Mixed-Valence States: Solid-State Synthesis, Crystal Structure, and Third-Order Nonlinear Optical Properties |
| Authors of publication | Ya Cai; Yan Wang; Yizhi Li; Xiaoshu Wang; Xinquan Xin; Caiming Liu; Hegen Zheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9128 - 9130 |
| a | 11.5262 ± 0.0017 Å |
| b | 11.5262 ± 0.0017 Å |
| c | 5.5308 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 734.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179140 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01. |
4310174.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310174.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310174.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4310174.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310174.cif |
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