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Information card for entry 4075573
Preview
Coordinates | 4075573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H39 B9 Ir2 O S2 |
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Calculated formula | C21 H39 B9 Ir2 O S2 |
SMILES | [Ir]123456([Ir]789%10%11([S]1[C]1%12%13[BH]%14%15[BH]%16%171[B]1%18%13([BH]%13%19%17[BH]%17%14%16[BH]%14%15[BH2]%15%16[BH]1%13([BH]%19%17%14%15)[C]%12%18%16[S]27)[O]6C)[c]1([c]%10([c]9([c]8([c]1%11C)C)C)C)C)[CH]1=[CH]3CC[CH]4=[CH]5CC1 |
Title of publication | Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand |
Authors of publication | Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 14 |
Pages of publication | 3508 |
a | 10.992 ± 0.005 Å |
b | 11.339 ± 0.005 Å |
c | 13.26 ± 0.006 Å |
α | 107.244 ± 0.004° |
β | 96.233 ± 0.005° |
γ | 115.175 ± 0.005° |
Cell volume | 1374.8 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4075573.html
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Users of the data should acknowledge the original authors of the
structural data.