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Information card for entry 4069076
Preview
Coordinates | 4069076.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59.75 H79.8 Cl1.1 Ir N4 |
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Calculated formula | C59.75 H79.8 Cl1.1 Ir N4 |
Title of publication | Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Systems: Multiple C−H Activation Processes and Isomeric Normal/Abnormal Carbene Complexes |
Authors of publication | Tang, Christina Y.; Smith, William; Vidovic, Dragoslav; Thompson, Amber L.; Chaplin, Adrian B.; Aldridge, Simon |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 3059 |
a | 12.9004 ± 0.0002 Å |
b | 14.9966 ± 0.0002 Å |
c | 15.5908 ± 0.0002 Å |
α | 81.5077 ± 0.0008° |
β | 82.6998 ± 0.0008° |
γ | 78.0607 ± 0.0006° |
Cell volume | 2904.07 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for all reflections | 0.0888 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0329 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4069076.html
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