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Information card for entry 2006782
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Coordinates | 2006782.cif |
---|---|
Original IUCr paper | HTML |
Formula | C20 H26 Cr N9 S4 |
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Calculated formula | C20 H26 Cr N9 S4 |
SMILES | [N+](CC)(CC)(CC)CC.c1ccnc2[n]1[Cr](N=C=S)(N=C=S)(N=C=S)([n]1cccnc21)N=C=S |
Title of publication | A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)] |
Authors of publication | María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 12 |
Pages of publication | 1803 - 1805 |
a | 8.87 ± 0.002 Å |
b | 11.956 ± 0.003 Å |
c | 13.699 ± 0.003 Å |
α | 90° |
β | 103.48 ± 0.02° |
γ | 90° |
Cell volume | 1412.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections | 0.1467 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Goodness-of-fit parameter for all reflections | 0.982 |
Goodness-of-fit parameter for significantly intense reflections | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2006782.html
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Users of the data should acknowledge the original authors of the
structural data.