Information card for entry 4109383

Structure parameters

• Formula: C35 H77 Mo6 N3 O18
• Calculated formula: C35 H77 Mo6 N3 O18
• Title of publication: Unexpected CC Bond Formation via Doubly Dehydrogenative Coupling of Two Saturated sp3 C-H Bonds Activated with a Polymolybdate
• Authors of publication: Qiang Li; Yongge Wei; Jian Hao; Yulin Zhu; Longsheng Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5810 - 5811
• a: 12.123 ± 0.002 Å
• b: 12.451 ± 0.003 Å
• c: 17.383 ± 0.004 Å
• α: 99.53 ± 0.03°
• β: 93.1 ± 0.03°
• γ: 96.14 ± 0.03°
• Cell volume: 2565.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No