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Information card for entry 4082040
Preview
Coordinates | 4082040.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H34 Cl N4 O Rh |
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Calculated formula | C25.5 H30 Cl N4 O Rh |
SMILES | [Rh]1(Cl)(=C2N(N=C(N2c2c(cccc2)C[N]1(C)C)c1ccccc1)C(C)(C)C)C#[O].c1cc(ccc1)C |
Title of publication | Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes |
Authors of publication | Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 7234 |
a | 9.567 ± 0.001 Å |
b | 17.2141 ± 0.0012 Å |
c | 33.433 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5506 ± 0.8 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4082040.html
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