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Information card for entry 4327742
Preview
| Coordinates | 4327742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 N6 O3 Ru |
|---|---|
| Calculated formula | C32 H36 N6 O3 Ru |
| SMILES | [Ru]123456([N](=C(Nc7c(OC)cccc7)N1c1ccccc1OC)c1ccccc1OC)([cH]1[c]5([cH]3[cH]6[c]4([cH]21)C(C)C)C)N=N#N |
| Title of publication | Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N"-Triarylguanidinate Complexes |
| Authors of publication | Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 157 - 169 |
| a | 9.1199 ± 0.0002 Å |
| b | 17.675 ± 0.0006 Å |
| c | 18.9166 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3049.25 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.865 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179380 (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 4/32/77. |
4327742.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4327742.cif |
| 76664 | 2013-03-21 | cif/ Adding structures of 4327742 via cif-deposit CGI script. |
4327742.cif |
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