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Information card for entry 2015374
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Coordinates | 2015374.cif |
---|---|
Structure factors | 2015374.hkl |
Original IUCr paper | HTML |
Chemical name | Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I) |
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Formula | C32 H31 Br F5 N2 Rh |
Calculated formula | C32 H31 Br F5 N2 Rh |
SMILES | [Rh]123(Br)(=C4N(c5ccccc5N4Cc4c(F)c(F)c(F)c(F)c4F)Cc4c(cc(cc4C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
Title of publication | Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I) |
Authors of publication | Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m252 - m254 |
a | 10.3364 ± 0.0003 Å |
b | 21.9437 ± 0.0009 Å |
c | 12.6549 ± 0.0004 Å |
α | 90° |
β | 93.517 ± 0.003° |
γ | 90° |
Cell volume | 2864.96 ± 0.17 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015374.html
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