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Information card for entry 7040380
Preview
Coordinates | 7040380.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H51 Mo N2 P5 |
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Calculated formula | C41 H51 Mo N2 P5 |
SMILES | [Mo]123([N]#N)([P](CCC[P]1(CCC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C)(C)C[P]3(C)C |
Title of publication | Molybdenum dinitrogen complexes facially coordinated by linear tridentate PEP ligands (E = N or P): impact of the central E donor in trans-position to N2. |
Authors of publication | Hinrichsen, Svea; Schnoor, Ann-Christin; Grund, Katharina; Flöser, Benedikt; Schlimm, Alexander; Näther, Christian; Krahmer, Jan; Tuczek, Felix |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14801 - 14813 |
a | 11.2404 ± 0.0003 Å |
b | 17.7665 ± 0.0004 Å |
c | 20.0607 ± 0.0006 Å |
α | 90° |
β | 98.553 ± 0.002° |
γ | 90° |
Cell volume | 3961.62 ± 0.18 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0406 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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