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Information card for entry 7037026
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Coordinates | 7037026.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H12 N7 O3 Re |
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Calculated formula | C19 H12 N7 O3 Re |
SMILES | [Re]1(C#[O])(C#[O])(C#[O])(n2nc(nn2)c2ncccc2)[n]2ccccc2c2[n]1cccc2 |
Title of publication | Targeting divalent metal cations with Re(i) tetrazolato complexes. |
Authors of publication | Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20597 - 20608 |
a | 7.1047 ± 0.0009 Å |
b | 8.6047 ± 0.0011 Å |
c | 15.5783 ± 0.0019 Å |
α | 84.887 ± 0.001° |
β | 79.225 ± 0.001° |
γ | 89.47 ± 0.001° |
Cell volume | 931.8 ± 0.2 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 | 0.0392 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/7037026.html
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