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Information card for entry 4081902
Preview
Coordinates | 4081902.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H88 Cl2 F12 Ir2 N6 O2 P2 |
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Calculated formula | C58 H88 Cl2 F12 Ir2 N6 O2 P2 |
Title of publication | Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis |
Authors of publication | Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6400 |
a | 12.036 ± 0.0007 Å |
b | 12.5925 ± 0.0008 Å |
c | 13.088 ± 0.0008 Å |
α | 80.127 ± 0.002° |
β | 63.055 ± 0.002° |
γ | 68.254 ± 0.002° |
Cell volume | 1642.46 ± 0.18 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0248 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081902.html
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