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Information card for entry 7000229
Preview
Coordinates | 7000229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H39 B9 Ir O Ru S2 |
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Calculated formula | C21 H39 B9 Ir O Ru S2 |
SMILES | [Ir]123456([Ru]789%10%11([S]1[C]1%12%13[BH]%14%15%16[BH]%17%18%19[B]%201%14([O]8C)[BH]18%17[BH]%14%17%18[BH]%18%15%19[BH]%15%17([H][BH]1%14%15[C]%13%208[S]27)[BH]%12%16%18)[CH]1=[CH]9CC[CH]%10=[CH]%11CC1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
Title of publication | Synthesis and characterization of heterometallic M‒Ru (M = Co, Rh, Ir) clusters containing the nido-dicarborane-1,2-dithiolato chelating ligand |
Authors of publication | Zhang, Jia-Sheng; Lin, Yue-Jian; Jin, Guo-Xin |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 1 |
Pages of publication | 111 - 118 |
a | 10.219 ± 0.009 Å |
b | 15.734 ± 0.014 Å |
c | 18.237 ± 0.016 Å |
α | 90° |
β | 90.603 ± 0.013° |
γ | 90° |
Cell volume | 2932 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0977 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2084 |
Weighted residual factors for all reflections included in the refinement | 0.2286 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/7000229.html
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Users of the data should acknowledge the original authors of the
structural data.