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Information card for entry 4515040
Preview
Coordinates | 4515040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H102 Cl6 F6 N7 P Rh2 |
---|---|
Calculated formula | C73 H102 Cl6 F6 N7 P Rh2 |
SMILES | c1([Rh]2345[CH]6=[CH]4CC[CH]5=[CH]2CC6)c(C[N]32Cc3c(n(c4c(cccc4C(C)C)C(C)C)n[n+]3c3c(cccc3C(C)C)C(C)C)[Rh]3452[CH]2=[CH]5CC[CH]3=[CH]4CC2)[n+](c2c(cccc2C(C)C)C(C)C)nn1c1c(cccc1C(C)C)C(C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes |
Authors of publication | Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio |
Journal of publication | ACS Omega |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 4 |
Pages of publication | 6360 |
a | 12.4173 ± 0.0011 Å |
b | 16.7357 ± 0.0016 Å |
c | 20.3867 ± 0.0018 Å |
α | 81.88 ± 0.006° |
β | 85.642 ± 0.006° |
γ | 86.607 ± 0.006° |
Cell volume | 4177 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1569 |
Residual factor for significantly intense reflections | 0.104 |
Weighted residual factors for significantly intense reflections | 0.2426 |
Weighted residual factors for all reflections included in the refinement | 0.2779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
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/4515040.html
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Users of the data should acknowledge the original authors of the
structural data.