Information card for entry 1569255

Structure parameters

• Formula: C26 H44 I2 Mo N3 P3
• Calculated formula: C26 H44 I2 Mo N3 P3
• SMILES: I[Mo]12([P](Nc3c2c(N[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)N=P(C)(C)c1ccccc1.[I-]
• Title of publication: A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N₂-derived molybdenum nitride.
• Authors of publication: Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 51
• Pages of publication: 7955 - 7958
• a: 17.0447 ± 0.0019 Å
• b: 12.5657 ± 0.0013 Å
• c: 16.0127 ± 0.0017 Å
• α: 90°
• β: 105.891 ± 0.002°
• γ: 90°
• Cell volume: 3298.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No