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Information card for entry 4308439
Preview
| Coordinates | 4308439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.75 H54.5 B Cl0.5 Co F5 N6 S |
|---|---|
| Calculated formula | C36.75 B Cl0.5 Co F5 N6 S |
| Title of publication | Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+ |
| Authors of publication | Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 325 - 335 |
| a | 9.378 ± 0.003 Å |
| b | 16.873 ± 0.006 Å |
| c | 27.892 ± 0.01 Å |
| α | 80.852 ± 0.008° |
| β | 79.621 ± 0.009° |
| γ | 79.401 ± 0.01° |
| Cell volume | 4231 ± 3 Å3 |
| Cell temperature | 184.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.92 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210140 (current) | 2018-08-25 | cif/4/30/ Updating bibliography in entries 4301050-4301054, 4308436-4308440. Marking entries 4301050-4301054 as duplicates of entries 4308437-4308440, 4308436. |
4308439.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308439.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308439.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308439.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308439.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). |
4308439.cif |
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Users of the data should acknowledge the original authors of the
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