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Information card for entry 4063392
Preview
Coordinates | 4063392.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H69 B39 Cl2 O Ru4 Se8 |
---|---|
Calculated formula | C29 H69 B39 Cl2 O Ru4 Se8 |
SMILES | [BH]1234[BH]567[BH]89([H]15)[BH]15%10[BH]%11%12%13%14[BH]%153([BH]326[BH]1%11%15[BH]7853)[C]14%13[C]9%10%12[Se]2[Ru]345678([c]9([cH]3[cH]4[c]5([cH]6[cH]79)C(C)C)C)[Se]1[Ru]134%142[Se]8[C]2567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%172([BH]2%18%15[BH]%15%12%14[BH]%129%11[BH]958[BH]6%172[BH]%18%15%129)[C]7%10%13%16[Se]1[Ru]12564O[Ru]4789%10([c]%11([cH]%10[cH]9[c]8([cH]7[cH]4%11)C(C)C)C)([Se]2[C]2478[BH]9%10%11[BH]%12%132[BH]2%144[BH]4%157[BH]7%16%14[BH]%14%132[BH]2%10%12[BH]%10%129[BH]47([BH]%16%142%10)[C]8%11%15%12[Se]31)[Se]6[C]1234[BH]678[BH]9%101[BH]1%112[BH]2%123[BH]3%13%11[BH]%11%101[BH]179[BH]796[BH]23([BH]%13%1117)[C]48%129[Se]5.C(Cl)Cl |
Title of publication | Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand |
Authors of publication | Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 2 |
Pages of publication | 298 - 304 |
a | 17.2935 ± 0.0009 Å |
b | 16.6292 ± 0.0008 Å |
c | 24.1302 ± 0.0012 Å |
α | 90° |
β | 104.12 ± 0.001° |
γ | 90° |
Cell volume | 6729.6 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4063392.html
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