Information card for entry 4071930

Structure parameters

• Formula: C24 H39 B Mo N8 O3
• Calculated formula: C24 H39 B Mo N8 O3
• 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: 9.952 ± 0.0002 Å
• b: 16.9385 ± 0.0002 Å
• c: 15.9761 ± 0.0002 Å
• α: 90°
• β: 92.829 ± 0.001°
• γ: 90°
• Cell volume: 2689.84 ± 0.07 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: 0.04
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No