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Information card for entry 4122100
Preview
| Coordinates | 4122100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H104 Mo2 N12 O2 P4 |
|---|---|
| Calculated formula | C54 H90 Mo2 N12 O2 P4 |
| Title of publication | Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand. |
| Authors of publication | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 27 |
| Pages of publication | 9719 - 9731 |
| a | 31.2829 ± 0.0012 Å |
| b | 10.0768 ± 0.0004 Å |
| c | 21.9085 ± 0.0007 Å |
| α | 90° |
| β | 111.716 ± 0.0009° |
| γ | 90° |
| Cell volume | 6416.1 ± 0.4 Å3 |
| Cell temperature | 183 K |
| Ambient diffraction temperature | 183 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179023 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/21. |
4122100.cif |
| 121270 | 2014-08-05 | cif/ Updating files of 4122097, 4122098, 4122099, 4122100, 4122101 Original log message: Adding full bibliography for 4122097--4122101.cif. |
4122100.cif |
| 118071 | 2014-06-26 | cif/ Adding structures of 4122097, 4122098, 4122099, 4122100, 4122101 via cif-deposit CGI script. |
4122100.cif |
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Users of the data should acknowledge the original authors of the
structural data.