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Information card for entry 4077509
Preview
| Coordinates | 4077509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H63 B F4 O4 Os2 P2 |
|---|---|
| Calculated formula | C28 H47 B F4 O4 Os2 P2 |
| SMILES | [Os]1234([P](C(C)C)(C(C)C)C(C)C)([OH][Os]56([P](C(C)C)(C(C)C)C(C)C)([OH]1)([O]=C(O2)C)([CH2]=[CH2]5)[CH2]=[CH2]6)([CH2]=[CH2]3)[CH2]=[CH2]4.[B](F)(F)(F)[F-] |
| Title of publication | Reaction of a Cationic Osmium(IV) Dihydride with Ethylene: Formation and Structure of the Novel Tetraethylene Dimer Complex [{(PiPr3)(η2-C2H4)2Os}2(μ-OH)2(μ-O2CCH3)]BF4 |
| Authors of publication | Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 3260 - 3262 |
| a | 15.371 ± 0.003 Å |
| b | 11.934 ± 0.003 Å |
| c | 19.36 ± 0.005 Å |
| α | 90° |
| β | 90 ± 0.01° |
| γ | 90° |
| Cell volume | 3551.4 ± 1.5 Å3 |
| Cell temperature | 200 ± 0.2 K |
| Ambient diffraction temperature | 200 ± 0.2 K |
| Number of distinct elements | 7 |
| 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 | 0.0858 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180536 (current) | 2016-03-27 | cif/4/07/ (antanas@kurmis) Updating bibliography for entry 4077509. |
4077509.cif |
| 178664 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/75. |
4077509.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077509.cif |
| 54601 | 2012-04-28 | cif/ Adding structures of 4077509 via cif-deposit CGI script. |
4077509.cif |
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