Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4327266
Preview
| Coordinates | 4327266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 As4 Cl F6 N2 P Ru |
|---|---|
| Calculated formula | C40 H44 As4 Cl F6 N2 P Ru |
| Title of publication | Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors |
| Authors of publication | Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Pages of publication | 1215 - 1227 |
| a | 34.075 ± 0.007 Å |
| b | 9.3403 ± 0.0019 Å |
| c | 32.136 ± 0.006 Å |
| α | 90° |
| β | 102.73 ± 0.03° |
| γ | 90° |
| Cell volume | 9977 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.2359 |
| Residual factor for significantly intense reflections | 0.1333 |
| Weighted residual factors for significantly intense reflections | 0.3419 |
| Weighted residual factors for all reflections included in the refinement | 0.3956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.251 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179375 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72. |
4327266.cif |
| 171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
4327266.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327266.cif |
| 60982 | 2012-06-20 | cif/ Adding structures of 4327266 via cif-deposit CGI script. |
4327266.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.