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Information card for entry 1508449
Preview
Coordinates | 1508449.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H24.5 Cl1.5 N4 O2 S16 |
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Calculated formula | C31 H23 Cl1.5 N4 O2 S16 |
Title of publication | Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions |
Authors of publication | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | 306 - 326 |
a | 7.6688 ± 0.0003 Å |
b | 12.6432 ± 0.0004 Å |
c | 22.6204 ± 0.0005 Å |
α | 98.43 ± 0.002° |
β | 98.463 ± 0.002° |
γ | 106.246 ± 0.003° |
Cell volume | 2041.6 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508449.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508449.cif |
69277 | 2012-12-06 | cif/ Updating files of 1508449 Original log message: mistake in journal_issue, fixed |
1508449.cif |
69269 | 2012-12-06 | cif/ Adding structures of 1508449 via cif-deposit CGI script. |
1508449.cif |
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Users of the data should acknowledge the original authors of the
structural data.