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Information card for entry 7110382
Preview
Coordinates | 7110382.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Bis-tropp-iridium |
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Formula | C54 H42 Cl0 Ir P2 |
Calculated formula | C54 H42 Ir P2 |
SMILES | [Ir]1234([P](C5c6c([CH]1=[CH]2c1c5cccc1)cccc6)(c1ccccc1)c1ccccc1)[P](C1c2c([CH]3=[CH]4c3c1cccc3)cccc2)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis of stable monomeric iridium(0) and iridium(−1) complexes |
Authors of publication | Boulmaâz, Souâd; Loss, Sandra; Schönberg, Hartmut; Deblon, Stephan; Wörle, Michael; Nesper, Reinhard; Grützmacher, Hansjörg; Mlakar, Marina |
Journal of publication | Chemical Communications |
Year of publication | 1998 |
Journal issue | 23 |
Pages of publication | 2623 |
a | 20.544 ± 0.003 Å |
b | 9.3588 ± 0.0014 Å |
c | 22.179 ± 0.003 Å |
α | 90° |
β | 101.439 ± 0.012° |
γ | 90° |
Cell volume | 4179.6 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1614 |
Weighted residual factors for all reflections included in the refinement | 0.171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
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/7110382.html
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