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Information card for entry 4071433
Preview
Coordinates | 4071433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H59 B11 Ir N3 O P2 Sn |
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Calculated formula | C47 H59 B11 Ir N3 O P2 Sn |
SMILES | [CH2]1=[CH2][Ir]1(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn]1234[BH]567[BH]89%10[BH]%11%125[BH]516[BH]163[BH]3%132[BH]28([BH]4793)[BH]3%10%12[BH]%1151[BH]6%1323.C[N+](C)(C)C.C(#N)C.CC#N |
Title of publication | Iridium Coordination Compounds of Stanna-closo-dodecaborate |
Authors of publication | Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 12 |
Pages of publication | 2803 |
a | 14.1852 ± 0.0011 Å |
b | 17.6952 ± 0.0012 Å |
c | 23.3093 ± 0.0017 Å |
α | 108.571 ± 0.005° |
β | 96.613 ± 0.006° |
γ | 101.763 ± 0.006° |
Cell volume | 5326.5 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/4071433.html
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Users of the data should acknowledge the original authors of the
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