Information card for entry 1569251

Structure parameters

• Formula: C30 H60 I2 Mo N3 P3
• Calculated formula: C30 H60 I2 Mo N3 P3
• SMILES: [Mo]12([P](Nc3c2c(ccc3)N[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(I)N=P(CCCC)(CCCC)CCCC.[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: 11.2557 ± 0.0008 Å
• b: 20.5955 ± 0.0016 Å
• c: 17.0359 ± 0.0013 Å
• α: 90°
• β: 101.483 ± 0.003°
• γ: 90°
• Cell volume: 3870.2 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No