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Information card for entry 4324390
Preview
Coordinates | 4324390.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H13 N6 O3 Re |
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Calculated formula | C22 H13 N6 O3 Re |
SMILES | [Re]1(C#[O])(C#[O])(C#[O])([n]2c3c(ccc2)ccc2c3[n]1ccc2)n1nc(nn1)c1ccccc1 |
Title of publication | Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes. |
Authors of publication | Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1229 - 1241 |
a | 9.252 ± 0.0003 Å |
b | 9.3821 ± 0.0003 Å |
c | 12.9643 ± 0.0004 Å |
α | 96.86 ± 0.002° |
β | 105.448 ± 0.003° |
γ | 110.008 ± 0.003° |
Cell volume | 991.29 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4324390.html
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Users of the data should acknowledge the original authors of the
structural data.