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Information card for entry 4077662
Preview
Coordinates | 4077662.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tricarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii) tetraphenylborate |
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Formula | C43 H40 B N4 O3 Os Rh |
Calculated formula | C43 H40 B N4 O3 Os Rh |
SMILES | [Os]123456(n7[n]([Rh]([n]8n1ccc8)(C#[O])C#[O])ccc7)([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C)C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes |
Authors of publication | Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A. |
Journal of publication | Organometallics |
Year of publication | 2000 |
Journal volume | 19 |
Journal issue | 5 |
Pages of publication | 798 |
a | 9.7378 ± 0.0008 Å |
b | 11.2371 ± 0.0011 Å |
c | 18.8008 ± 0.0014 Å |
α | 73.716 ± 0.006° |
β | 83.814 ± 0.006° |
γ | 78.431 ± 0.007° |
Cell volume | 1931.7 ± 0.3 Å3 |
Cell temperature | 200 ± 0.2 K |
Ambient diffraction temperature | 200 ± 0.2 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 | 0.056 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0769 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
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/4077662.html
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