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Information card for entry 4316798
Preview
| Coordinates | 4316798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp2Co[Tp(iPr)MoO2(OAr-CONHPh(4-OMe)-2)] |
|---|---|
| Formula | C44 H53 B Co Mo N8 O5 |
| Calculated formula | C44 H53 B Co Mo N8 O5 |
| SMILES | c1(c(cccc1)C(=O)Nc1ccc(cc1)OC)O[Mo]12([n]3c(ccn3[BH](n3ccc(C(C)C)[n]13)n1ccc(C(C)C)[n]21)C(C)C)(=O)=O.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.CC#N |
| Title of publication | cis-Dioxo- and cis-(Hydroxo)oxo-Mo(V) Complexes Stabilized by Intramolecular Hydrogen-Bonding |
| Authors of publication | Victor W. L. Ng; Michelle K. Taylor; Jonathan M. White; Charles G. Young |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9460 - 9469 |
| a | 10.9831 ± 0.0011 Å |
| b | 12.7023 ± 0.0007 Å |
| c | 17.3313 ± 0.0012 Å |
| α | 86.255 ± 0.005° |
| β | 81.535 ± 0.007° |
| γ | 65.337 ± 0.007° |
| Cell volume | 2173.4 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1474 |
| Weighted residual factors for all reflections included in the refinement | 0.1743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179247 (current) | 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 4/31/67. |
4316798.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316798.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316798.cif |
| 10304 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316798 via cif-deposit CGI script. |
4316798.cif |
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