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Information card for entry 4310031
Preview
| Coordinates | 4310031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(PCP)Ru(CO)(ClCH2Cl)][BAr'4] |
|---|---|
| Formula | C58 H57 B Cl2 F24 O P2 Ru |
| Calculated formula | C58 H57 B Cl2 F24 O P2 Ru |
| Title of publication | Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene |
| Authors of publication | Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8379 - 8390 |
| a | 13.435 ± 0.0004 Å |
| b | 13.5298 ± 0.0004 Å |
| c | 17.9662 ± 0.0005 Å |
| α | 98.7273 ± 0.0011° |
| β | 106.331 ± 0.001° |
| γ | 94.8176 ± 0.0011° |
| Cell volume | 3069.99 ± 0.16 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Goodness-of-fit parameter for significantly intense reflections | 1.84 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310031.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310031.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310031.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310031.cif |
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