Information card for entry 7028816

Structure parameters

• Formula: C35 H49 Mo N2 P5 Si
• Calculated formula: C35 H49 Mo N2 P5 Si
• SMILES: [Mo]123([N]#N)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[Si](C)(C[P]2(C)C)C[P]3(C)C)(C)C
• Title of publication: Molybdenum dinitrogen complexes supported by a silicon-centred tripod ligand and dppm or dmpm: tuning the activation of N2.
• Authors of publication: Broda, Henning; Hinrichsen, Svea; Krahmer, Jan; Näther, Christian; Tuczek, Felix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2007 - 2012
• a: 12.6764 ± 0.0008 Å
• b: 18.1037 ± 0.001 Å
• c: 16.607 ± 0.0009 Å
• α: 90°
• β: 92.519 ± 0.007°
• γ: 90°
• Cell volume: 3807.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No