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Information card for entry 4066369
Preview
Coordinates | 4066369.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H52 Cl Ir N2 |
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Calculated formula | C35 H52 Cl Ir N2 |
SMILES | N(C(N(C)c1c(cccc1C(C)C)C(C)C)=[Ir]123(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4)(C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities |
Authors of publication | Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 13 |
Pages of publication | 3047 |
a | 9.6923 ± 0.0003 Å |
b | 17.9355 ± 0.0009 Å |
c | 10.6162 ± 0.0004 Å |
α | 90° |
β | 116.597 ± 0.003° |
γ | 90° |
Cell volume | 1650.19 ± 0.12 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0332 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections included in the refinement | 0.05 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4066369.html
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