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Information card for entry 4304820
Preview
Coordinates | 4304820.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C30 H31 Mo O P S3 |
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Calculated formula | C30 H31 Mo O P S3 |
SMILES | [Mo](=S)(=S)([S-])OC(=C)C(C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes |
Authors of publication | Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 3763 - 3771 |
a | 15.415 ± 0.003 Å |
b | 12.054 ± 0.002 Å |
c | 16.96 ± 0.003 Å |
α | 90° |
β | 110.835 ± 0.003° |
γ | 90° |
Cell volume | 2945.3 ± 0.9 Å3 |
Cell temperature | 173.1 K |
Number of distinct elements | 6 |
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 | 0.0358 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4304820.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. |
4304820.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304820.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304820.cif |
1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304820.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.