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Information card for entry 4335308
Preview
| Coordinates | 4335308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(D)2(D2)2(P(C5H9)3)2] |
|---|---|
| Formula | C30 H54 D6 P2 Ru |
| Calculated formula | C30 H54 D5.06 P2 Ru |
| Title of publication | Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies. |
| Authors of publication | Mary Grellier; Sax A. Mason; Alberto Albinati; Silvia C. Capelli; Silvia Rizzato; Christian Bijani; Yannick Coppel; Sylviane Sabo-Etienne |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 7329 - 7337 |
| a | 14.8292 ± 0.0001 Å |
| b | 9.426 ± 0.0001 Å |
| c | 21.67 ± 0.0002 Å |
| α | 90° |
| β | 105.384 ± 0.0006° |
| γ | 90° |
| Cell volume | 2920.51 ± 0.05 Å3 |
| Cell temperature | 20 ± 1 K |
| Ambient diffraction temperature | 20 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.1675 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179456 (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 4/33/53. |
4335308.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4335308.cif |
| 101234 | 2014-02-11 | cif/ Adding structures of 4335308 via cif-deposit CGI script. |
4335308.cif |
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Users of the data should acknowledge the original authors of the
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