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Information card for entry 4067585
Preview
Coordinates | 4067585.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H100 B2 Cl8 N8 O2 Rh2 |
---|---|
Calculated formula | C98 H100 B2 Cl8 N8 O2 Rh2 |
SMILES | [B-](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[N]123Cc4cccc[n]4[Rh]452(C(=O)[Rh]2675(C4=O)[n]4c(C[N]7(Cc5[n]2cccc5)Cc2[n]6cccc2)cccc4)([n]2c(C3)cccc2)[n]2c(C1)cccc2.C(Cl)Cl.C(Cl)Cl.[B-](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.C(Cl)Cl.C(Cl)Cl |
Title of publication | Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls |
Authors of publication | Dzik, Wojciech I.; Creusen, Charlotte; de Gelder, René; Peters, Theo P. J.; Smits, Jan M. M.; de Bruin, Bas |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 1629 |
a | 13.8374 ± 0.001 Å |
b | 14.319 ± 0.002 Å |
c | 14.5273 ± 0.0009 Å |
α | 115.639 ± 0.007° |
β | 111.926 ± 0.007° |
γ | 94.289 ± 0.01° |
Cell volume | 2309.2 ± 0.5 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections | 0.1101 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections | 1.052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4067585.html
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