Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073048
Preview
| Coordinates | 4073048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 F12 N6 P2 Ru |
|---|---|
| Calculated formula | C38 H30 F12 N6 P2 Ru |
| SMILES | [Ru]123([n]4ccccc4C=[N]1c1ccc(cc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, Characterization, Langmuir−Blodgett Film-Forming Property, and Second-Order Nonlinear Optical Study of Rhenium(I) and Ruthenium(II) Diimine Complexes |
| Authors of publication | Zhang, Jiaxin; Chu, Ben Wai-Kin; Zhu, Nianyong; Yam, Vivian Wing-Wah |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5423 |
| a | 9.079 ± 0.002 Å |
| b | 33.972 ± 0.007 Å |
| c | 12.485 ± 0.003 Å |
| α | 90° |
| β | 99.64 ± 0.03° |
| γ | 90° |
| Cell volume | 3796.4 ± 1.5 Å3 |
| Cell temperature | 253 ± 2 K |
| Ambient diffraction temperature | 253 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0598 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.588 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (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 4/07/30. |
4073048.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073048.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073048.cif |
| 46135 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073047, 4073048 via cif-deposit CGI script. |
4073048.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.