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Information card for entry 4332950
Preview
| Coordinates | 4332950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H43 B Cl3 F4 N3 P2 Ru |
|---|---|
| Calculated formula | C40.99 H42.98 B Cl3 F4 N3 P2 Ru |
| Title of publication | New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry |
| Authors of publication | Mola, Joaquim; Rodríguez, Montserrat; Romero, Isabel; Llobet, Antoni; Parella, Teodor; Poater, Albert; Duran, Miquel; Solà, Miquel; Benet-Buchholz, Jordi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10520 - 10529 |
| a | 9.1355 ± 0.0006 Å |
| b | 11.7412 ± 0.0008 Å |
| c | 20.6366 ± 0.0014 Å |
| α | 79.24 ± 0.002° |
| β | 77.369 ± 0.002° |
| γ | 69.907 ± 0.002° |
| Cell volume | 2013.4 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179432 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/29. |
4332950.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' |
4332950.cif |
| 98665 | 2014-01-30 | cif/ Adding structures of 4332950, 4332951, 4332952 via cif-deposit CGI script. |
4332950.cif |
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