Information card for entry 4071926

Structure parameters

• Formula: C48 H74 B2 Mo2 N14 O5
• Calculated formula: C48 H74 B2 Mo2 N14 O5
• Title of publication: Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes
• Authors of publication: Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4532
• a: 8.053 ± 0.0001 Å
• b: 17.1793 ± 0.0003 Å
• c: 19.9944 ± 0.0004 Å
• α: 90°
• β: 101.063 ± 0.001°
• γ: 90°
• Cell volume: 2714.72 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No