Information card for entry 7110901

Structure parameters

• Common name: [Mo(CO)3{P3C2tBu2C(tBu)(C3N2Me4)}]
• Formula: C25 H39 Mo N2 O3 P3
• Calculated formula: C25 H39 Mo N2 O3 P3
• Title of publication: Remarkable carbene-induced transformation of 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene, P3C3But3, to the 1,2,4-triphosphole, P3C2But2CBut(carbene). Crystal and molecular structure of the planar triphosphole complex [Mo(CO)3(η5-P3C2But2CBut(carbene))] [carbene = C(N(Me)C(Me)=C(Me)N(Me))]
• Authors of publication: Clendenning, Scott B.; Hitchcock, Peter B.; Nixon, John F.; Nyulászi, László
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 1305
• a: 10.5667 ± 0.0003 Å
• b: 10.9262 ± 0.0003 Å
• c: 13.89 ± 0.0004 Å
• α: 90.436 ± 0.002°
• β: 96.562 ± 0.002°
• γ: 114.401 ± 0.002°
• Cell volume: 1448.18 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No