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Information card for entry 4313806
Preview
| Coordinates | 4313806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ESI99 data2 |
|---|---|
| Chemical name | ESI99 data2 |
| Formula | C27 H25 B Cl2 N7 Os P |
| Calculated formula | C27 H25 B Cl2 N7 Os P |
| SMILES | [Os]12(Cl)(Cl)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Osmium Phosphiniminato Complexes: Synthesis, Protonation, Structure, and Redox-Coupled Hydrolytic Scission of N-P Bonds |
| Authors of publication | Brian K. Bennett; Erik Saganic; Scott Lovell; Werner Kaminsky; Amanda Samuel; James M. Mayer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4127 - 4134 |
| a | 8.664 ± 0.0003 Å |
| b | 15.305 ± 0.0006 Å |
| c | 21.727 ± 0.001 Å |
| α | 90° |
| β | 107.5 ± 0.0013° |
| γ | 90° |
| Cell volume | 2747.71 ± 0.19 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4313806.cif |
| 179204 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/38. |
4313806.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4313806.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313806.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313806.cif |
| 6876 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313806 via cif-deposit CGI script. |
4313806.cif |
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Users of the data should acknowledge the original authors of the
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