Information card for entry 7710098

Structure parameters

• Formula: C39 H53 N2 P5 W
• Calculated formula: C39 H53 N2 P5 W
• SMILES: [W]1234([N]#N)[P](CC(C)(C[P]1(C)C)C[P]2(CCC[P]3(c1ccccc1)c1ccccc1)CCC[P]4(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Tungsten and molybdenum dinitrogen complexes supported by a pentadentate tetrapodal phosphine ligand: comparative spectroscopic, electrochemical and reactivity studies.
• Authors of publication: Junge, Jannik; Froitzheim, Sven; Engesser, Tobias A.; Krahmer, Jan; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 16
• Pages of publication: 6166 - 6176
• a: 19.2033 ± 0.0008 Å
• b: 9.4433 ± 0.0003 Å
• c: 21.9208 ± 0.001 Å
• α: 90°
• β: 107.168 ± 0.003°
• γ: 90°
• Cell volume: 3798.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0921
• 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