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Information card for entry 4343188
Preview
| Coordinates | 4343188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [trans-Mo(NNH2)(OTf)(PMePh2)2(P_Et2-PN2, N_Ph2)][OTf] |
|---|---|
| Formula | C70.5 H78 F6 Mo N4 O6 P4 S2 |
| Calculated formula | C60 H66 F6 Mo N4 O6 P4 S2 |
| Title of publication | Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes. |
| Authors of publication | Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 9 |
| Pages of publication | 4409 - 4422 |
| a | 16.537 ± 0.0008 Å |
| b | 21.5308 ± 0.001 Å |
| c | 20.5235 ± 0.0008 Å |
| α | 90° |
| β | 112.761 ± 0.002° |
| γ | 90° |
| Cell volume | 6738.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343188.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343188.cif |
| 137934 | 2015-06-04 | cif/ Adding structures of 4343185, 4343186, 4343187, 4343188, 4343189 via cif-deposit CGI script. |
4343188.cif |
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Users of the data should acknowledge the original authors of the
structural data.