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Information card for entry 4066373
Preview
Coordinates | 4066373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H80 Cl2 Ir2 N4 O4 |
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Calculated formula | C56 H78 Cl2 Ir2 N4 O4 |
SMILES | C1(N(C[Ir]2=1(O[Ir]1(=C(N(C1)c1c(cccc1C(C)C)C(C)C)N(C)c1c(cccc1C(C)C)C(C)C)(O2)(C#[O])Cl)(C#[O])Cl)c1c(cccc1C(C)C)C(C)C)N(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 | 14.383 ± 0.002 Å |
b | 10.7827 ± 0.0015 Å |
c | 19.396 ± 0.002 Å |
α | 90° |
β | 106.906 ± 0.003° |
γ | 90° |
Cell volume | 2878.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1307 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.639 |
Diffraction radiation wavelength | 0.71075 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/4066373.html
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Users of the data should acknowledge the original authors of the
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