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Information card for entry 7037027
Preview
Coordinates | 7037027.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H14 Cl2 N7 O3 Re |
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Calculated formula | C22 H14 Cl2 N7 O3 Re |
SMILES | [Re]1(C#[O])(C#[O])(C#[O])(n2nc(nn2)c2ncccc2)[n]2cccc3c2c2[n]1cccc2cc3.C(Cl)Cl |
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 | 21.5431 ± 0.0008 Å |
b | 9.355 ± 0.0004 Å |
c | 23.299 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4695.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections included in the refinement | 0.0558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/7037027.html
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