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Information card for entry 1552860
Preview
| Coordinates | 1552860.cif |
|---|---|
| Structure factors | 1552860.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum |
|---|---|
| Formula | C34 H45 Li Mo N4 O4 P2 |
| Calculated formula | C34 H45 Li Mo N4 O4 P2 |
| SMILES | C([Mo]1(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)N(C(C)C)[P]1(c1ccccc1)N(C(C)C)[Li]1[N](CC[N]1(C)C)(C)C)#[O] |
| Title of publication | Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum |
| Authors of publication | Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | x181149 |
| a | 11.7633 ± 0.0004 Å |
| b | 12.5731 ± 0.0004 Å |
| c | 13.7249 ± 0.0004 Å |
| α | 87.283 ± 0.002° |
| β | 75.537 ± 0.002° |
| γ | 67.45 ± 0.002° |
| Cell volume | 1812.66 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0266 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227674 (current) | 2019-11-12 | cif/ hkl/ Adding structures of 1552860 via cif-deposit CGI script. |
1552860.cif 1552860.hkl |
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