Information card for entry 7040381

Structure parameters

• Formula: C35 H47 Mo N2 P5
• Calculated formula: C35 H47 Mo N2 P5
• SMILES: [Mo]123([N]#N)([P](CCC[P]1CCC[P]2(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: 9.4524 ± 0.0002 Å
• b: 18.9236 ± 0.0003 Å
• c: 20.0445 ± 0.0004 Å
• α: 90°
• β: 93.24 ± 0.002°
• γ: 90°
• Cell volume: 3579.7 ± 0.12 ų
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0891
• 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