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Information card for entry 1519384
Preview
| Coordinates | 1519384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H116 Mo2 N12 P4 Ru2 |
|---|---|
| Calculated formula | C72 H102 Mo2 N12 P4 Ru2 |
| SMILES | [Ru]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1cc2[n]3[Mo]([P](C(C)(C)C)(C(C)(C)C)C2)([P](Cc3c1)(C(C)(C)C)C(C)(C)C)([N]#N)([N]#N)[N]#[N][Mo]12([P](C(C)(C)C)(C(C)(C)C)Cc3[n]2c(cc(c3)[c]23[cH]4[Ru]9%10%11%12%13%142([cH]4[cH]9[cH]3%10)[cH]2[cH]%14[cH]%13[cH]%12[cH]%112)C[P]1(C(C)(C)C)C(C)(C)C)([N]#N)[N]#N)[cH]1[cH]5[cH]6[cH]7[cH]81.CCCCCC |
| Title of publication | Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site |
| Authors of publication | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 3940 |
| a | 14.7212 ± 0.0003 Å |
| b | 15.3604 ± 0.0003 Å |
| c | 18.0121 ± 0.0004 Å |
| α | 72.7582 ± 0.0007° |
| β | 84.4816 ± 0.0007° |
| γ | 81.1096 ± 0.0007° |
| Cell volume | 3837.72 ± 0.14 Å3 |
| Cell temperature | 198 K |
| Ambient diffraction temperature | 198 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143327 (current) | 2015-07-10 | cif/ Updating files of 1519383, 1519384, 1519385, 1519386, 1519387 Original log message: Adding full bibliography for 1519383--1519387.cif. |
1519384.cif |
| 135787 | 2015-05-09 | cif/ Adding structures of 1519383, 1519384, 1519385, 1519386, 1519387 via cif-deposit CGI script. |
1519384.cif |
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Users of the data should acknowledge the original authors of the
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