Information card for entry 1569252

Structure parameters

• Formula: C31 H46 I2 Mo N3 P3
• Calculated formula: C31 H46 I2 Mo N3 P3
• SMILES: [I-].[Mo]12(I)([P](Nc3c2c(N[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)N=P(c1ccccc1)(C)c1ccccc1
• 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: 32.1147 ± 0.0011 Å
• b: 12.0242 ± 0.0004 Å
• c: 19.6739 ± 0.0007 Å
• α: 90°
• β: 103.547 ± 0.002°
• γ: 90°
• Cell volume: 7385.8 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No