Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073499
Preview
| Coordinates | 4073499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H70 B20 Cl2 Pd Rh2 Se6 |
|---|---|
| Calculated formula | C33 H68 B20 Cl2 Pd Rh2 Se6 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Rh]162345[Se]([Pd]2([Se]1CCCC)[Se]1[C]3457[BH]89%10[BH]%11%123[BH]3%134[BH]4%145[C]57%10([BH]7%108[BH]89%11[BH]9%123[BH]3%134[BH]%1457[BH]%10893)[Se][Rh]34571([c]1([c]3([c]4([c]5([c]71C)C)C)C)C)[Se]2CCCC)[C]1234[BH]578[BH]9%101[BH]1%112[BH]2%123[C]348([BH]485[BH]579[BH]7%101[BH]1%112[BH]%1234[BH]8571)[Se]6)C)C)C)C.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 | 11.421 ± 0.003 Å |
| b | 21.371 ± 0.007 Å |
| c | 24.034 ± 0.006 Å |
| α | 90° |
| β | 101.274 ± 0.004° |
| γ | 90° |
| Cell volume | 5753 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1219 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.639 |
| 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. |
4073499.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073499.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073499.cif |
| 46380 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073499 via cif-deposit CGI script. |
4073499.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.