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Information card for entry 7029186
Preview
Coordinates | 7029186.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H36 Cl Fe N2 Rh |
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Calculated formula | C30 H36 Cl Fe N2 Rh |
SMILES | C1(N([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)N1c1ccccc1)CC(C)(C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl |
Title of publication | Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone. |
Authors of publication | Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 9 |
Pages of publication | 3508 - 3520 |
a | 24.2589 ± 0.0015 Å |
b | 12.7596 ± 0.0004 Å |
c | 21.911 ± 0.0014 Å |
α | 90° |
β | 119.247 ± 0.004° |
γ | 90° |
Cell volume | 5917.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/7029186.html
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