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Information card for entry 7023397
Preview
Coordinates | 7023397.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H26 Cl Fe Ir N2 |
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Calculated formula | C21 H26 Cl Fe Ir N2 |
SMILES | [Ir]123(Cl)([N]4(C)=CN(C)[c]56[Fe]789%10%11%12%13([cH]5[cH]7[cH]8[cH]69)[c]45[cH]%10[cH]%11[cH]%12[cH]%135)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes. |
Authors of publication | Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 36 |
Pages of publication | 13251 - 13264 |
a | 22.976 ± 0.004 Å |
b | 6.4866 ± 0.001 Å |
c | 26.186 ± 0.005 Å |
α | 90° |
β | 94.263 ± 0.003° |
γ | 90° |
Cell volume | 3891.9 ± 1.2 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0213 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for significantly intense reflections | 0.0431 |
Weighted residual factors for all reflections included in the refinement | 0.0443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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