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Information card for entry 4073498
Preview
| Coordinates | 4073498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H70 B20 Cl2 Ni Rh2 Se6 |
|---|---|
| Calculated formula | C33 H68 B20 Cl2 Ni Rh2 Se6 |
| SMILES | [BH]1234[BH]567[C]89%101[BH]1%11%12[BH]%13%14%15[C]281([BH]14%13[BH]235[BH]3%141[BH]1%12%15[BH]6%10%11[BH]7231)[Se][Rh]12345([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)[Se]9[Ni]1([Se]5CCCC)[Se]2[C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%1634[BH]3%10%12[BH]48%11[BH]9%14([C]67%135[Se][Rh]56782([c]2([c]8([c]7([c]6([c]52C)C)C)C)C)[Se]1CCCC)[BH]%15%1634.C(Cl)Cl |
| Title of publication | Trinuclear Rh2M Complexes (M = Ni, Pd) Bridged by Butyl Selenolato and Carborane Diselenolato Ligands |
| Authors of publication | Cai, Shuyi; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5442 |
| a | 11.488 ± 0.003 Å |
| b | 21.292 ± 0.005 Å |
| c | 23.703 ± 0.006 Å |
| α | 90° |
| β | 100.899 ± 0.004° |
| γ | 90° |
| Cell volume | 5693 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.791 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34. |
4073498.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073498.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073498.cif |
| 46379 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073498 via cif-deposit CGI script. |
4073498.cif |
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Users of the data should acknowledge the original authors of the
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