Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000106
Preview
| Coordinates | 8000106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H44 Cr N6 S16 Se6 |
|---|---|
| Calculated formula | C52 H34 Cr N6 S16 Se6 |
| Title of publication | New Charge-transfer Salts Based on Unsymmetrical Donor DMET and Metal Complex Anions: (DMET)3[Cr(isoq)2(NCS)4] and (DMET)3[Cr(phen)(NCS)4]·CH3CN |
| Authors of publication | Umemiya, Masamichi; Goto, Makoto; Kobayashi, Norihito; Takaishi, Shinya; Kajiwara, Takashi; Yamashita, Masahiro; Miyasaka, Hitoshi; Sugiura, Ken-ichi; Watanabe, Harutaka; Suzuki, Daichi; Ito, Hiroshi; Kuroda, Shin-ichi |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 368 |
| a | 7.86 ± 0.0008 Å |
| b | 9.1687 ± 0.0009 Å |
| c | 22.544 ± 0.002 Å |
| α | 98.746 ± 0.002° |
| β | 90.014 ± 0.002° |
| γ | 102.169 ± 0.002° |
| Cell volume | 1568.8 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000106.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000106.cif |
| 94258 | 2014-01-22 | cif/ Adding structures of 8000106 via cif-deposit CGI script. |
8000106.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.