Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7013147
Preview
Coordinates | 7013147.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H41 Cl2 N3 O4 Ru |
---|---|
Calculated formula | C39 H41 Cl2 N3 O4 Ru |
SMILES | [Ru]12(Cl)(Cl)([n]3c(CC(c4ccccc4)(c4ccccc4)O1)cccc3CC(c1ccccc1)(c1ccccc1)O2)[O]=CN(C)C.C(=O)N(C)C |
Title of publication | Nitrido-ruthenium(vi) and -osmium(vi) complexes of multianionic chelating (N, O) ligands. Reactions with nucleophiles, electrophiles and oxidizing agentsElectronic supplementary information (ESI) available: Fig. S1?S6. See http://www.rsc.org/suppdata/dt/b3/b304920p/ |
Authors of publication | Yip, Ka-Lai; Yu, Wing-Yiu; Chan, Pui-Ming; Zhu, Nian-Yong; Che, Chi-Ming |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 18 |
Pages of publication | 3556 |
a | 10.098 ± 0.002 Å |
b | 14.093 ± 0.003 Å |
c | 14.192 ± 0.003 Å |
α | 66.68 ± 0.02° |
β | 79.25 ± 0.02° |
γ | 87.84 ± 0.02° |
Cell volume | 1820.7 ± 0.7 Å3 |
Cell temperature | 301 ± 2 K |
Ambient diffraction temperature | 301 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013147.cif |
179835 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/31. |
7013147.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013147.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013147.cif |
3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013147.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.