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Information card for entry 7020630
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7020630.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cwg42 |
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Formula | C26 H29 Ir N2 O |
Calculated formula | C26 H29 Ir N2 O |
SMILES | [IrH]12345([N](=C(c6c1cc(cc6)C#N)C)c1ccc(OC)cc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides. |
Authors of publication | Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 4 |
Pages of publication | 935 - 940 |
a | 30.885 ± 0.01 Å |
b | 9.215 ± 0.003 Å |
c | 16.691 ± 0.005 Å |
α | 90° |
β | 98.318 ± 0.007° |
γ | 90° |
Cell volume | 4700 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0813 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1597 |
Weighted residual factors for all reflections included in the refinement | 0.1688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/7020630.html
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Users of the data should acknowledge the original authors of the
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