Information card for entry 4348503

Structure parameters

• Formula: C39 H53 Mo N2 P5
• Calculated formula: C39 H53 Mo N2 P5
• SMILES: [Mo]1234([N]#N)[P](CCC[P]1(CCC[P]2(c1ccccc1)c1ccccc1)CC(C)(C[P]3(C)C)C[P]4(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Molybdenum(0) Dinitrogen Complexes Supported by Pentadentate Tetrapodal Phosphine Ligands: Structure, Synthesis, and Reactivity toward Acids.
• Authors of publication: Hinrichsen, Svea; Kindjajev, Andrei; Adomeit, Sven; Krahmer, Jan; Näther, Christian; Tuczek, Felix
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8712 - 8722
• a: 19.1665 ± 0.0014 Å
• b: 9.4485 ± 0.0005 Å
• c: 21.9647 ± 0.0014 Å
• α: 90°
• β: 107.059 ± 0.005°
• γ: 90°
• Cell volume: 3802.7 ± 0.4 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: 0.0834
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No