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Information card for entry 4301466
Preview
Coordinates | 4301466.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H44 Cl4 Ga N2 P Se |
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Calculated formula | C24 H44 Cl4 Ga N2 P Se |
SMILES | [Se]1(N=CC=[N]1C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ga]([Cl-])(Cl)Cl |
Title of publication | Donor-Acceptor Chemistry at Heavy Chalcogen Centers |
Authors of publication | Jason L. Dutton; Paul J. Ragogna |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 1722 - 1730 |
a | 11.032 ± 0.002 Å |
b | 36.409 ± 0.007 Å |
c | 15.717 ± 0.003 Å |
α | 90° |
β | 99.22 ± 0.03° |
γ | 90° |
Cell volume | 6231 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179052 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14. |
4301466.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301466.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301466.cif |
1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301466.cif |
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Users of the data should acknowledge the original authors of the
structural data.