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Information card for entry 2019111
Preview
| Coordinates | 2019111.cif |
|---|---|
| Structure factors | 2019111.hkl |
| Original IUCr paper | HTML |
| Chemical name | (η^6^-<i>p</i>-Cymene)(difluorophosphinato-κ<i>O</i>){2-[(<i>1</i>H-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}ruthenium(II) hexafluorophosphate tetrafluoroborate (1/0.86/0.14) |
|---|---|
| Formula | C19 H23 B0.15 F7.71 N3 O2 P1.85 Ru |
| Calculated formula | C19 H23 B0.146 F7.708 N3 O2 P1.854 Ru |
| Title of publication | Positional and compositional disorder in a ruthenium(II) piano-stool complex |
| Authors of publication | Guzei, Ilia A.; Dolinar, Brian S.; Khumalo, Nozipho; Darkwa, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 847 - 850 |
| a | 15.6531 ± 0.0017 Å |
| b | 8.7619 ± 0.0009 Å |
| c | 17.4895 ± 0.0018 Å |
| α | 90° |
| β | 106.316 ± 0.005° |
| γ | 90° |
| Cell volume | 2302.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019111.cif 2019111.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019111.cif 2019111.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019111.cif 2019111.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019111.cif 2019111.hkl |
| 88312 | 2013-09-04 | cif/ Adding structures of 2019111 via cif-deposit CGI script. |
2019111.cif |
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Users of the data should acknowledge the original authors of the
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