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Information card for entry 7022840
Preview
Coordinates | 7022840.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 N2 O2 S |
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Calculated formula | C10 H10 N2 O2 S |
SMILES | S1(=O)(=O)C=C(c2ccccn2)NC(=C1)C |
Title of publication | A rare case of dual emission in a neutral heteroleptic iridium(III) complex. |
Authors of publication | Ladouceur, Sébastien; Donato, Loïc; Romain, Maxime; Mudraboyina, Bhanu P.; Johansen, Michael B.; Wisner, James A.; Zysman-Colman, Eli |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 24 |
Pages of publication | 8838 - 8847 |
a | 10.335 ± 0.0004 Å |
b | 9.6877 ± 0.0004 Å |
c | 19.7442 ± 0.0009 Å |
α | 90° |
β | 104.817 ± 0.001° |
γ | 90° |
Cell volume | 1911.1 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.71073 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/7022840.html
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