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Information card for entry 7037030
Preview
Coordinates | 7037030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60.67 H45.33 B Cl3.33 Cu F4 N7 O4 P2 Re |
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Calculated formula | C60.6667 H45.3333 B Cl3.33333 Cu F4 N7 O4 P2 Re |
SMILES | [Re]1(C#[O])(C#[O])(C#[O])([n]2c(c3[n]1cccc3)cccc2)n1nc2[n]([Cu]3([n]4c2ccc2c4cccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2Oc2c([P]3(c3ccccc3)c3ccccc3)cccc2)n1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-] |
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 | 19.7532 ± 0.0012 Å |
b | 21.2407 ± 0.0013 Å |
c | 21.6526 ± 0.0013 Å |
α | 73.361 ± 0.003° |
β | 89.462 ± 0.004° |
γ | 86.973 ± 0.004° |
Cell volume | 8692.1 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1187 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.1864 |
Weighted residual factors for all reflections included in the refinement | 0.2212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/7037030.html
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