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Information card for entry 4308436
Preview
Coordinates | 4308436.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H46 B F5 N6 S Zn |
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Calculated formula | C33 B F5 N6 S Zn |
SMILES | [Zn]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 |
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 | 13.983 ± 0.01 Å |
b | 16.105 ± 0.011 Å |
c | 18.54 ± 0.01 Å |
α | 90° |
β | 114.02 ± 0.008° |
γ | 90° |
Cell volume | 3814 ± 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 | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.646 |
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. |
4308436.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. |
4308436.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308436.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308436.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. |
4308436.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). |
4308436.cif |
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