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Information card for entry 4308438
Preview
| Coordinates | 4308438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H62 B F5 Fe N6 S |
|---|---|
| Calculated formula | C40 B F5 Fe N6 S |
| SMILES | [Fe]12(Sc3c(F)c(F)c(F)c(F)c3F)[n]3n(c(cc3C(C)C)C(C)C)[BH](n3[n]1c(C(C)C)cc3C(C)C)n1[n]2c(C(C)C)cc1C(C)C.CCCCCCC |
| 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 | 21.843 ± 0.011 Å |
| b | 9.461 ± 0.004 Å |
| c | 21.893 ± 0.011 Å |
| α | 90° |
| β | 99.35 ± 0.007° |
| γ | 90° |
| Cell volume | 4464 ± 4 Å3 |
| Cell temperature | 212.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.792 |
| 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. |
4308438.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. |
4308438.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308438.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308438.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. |
4308438.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). |
4308438.cif |
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