Information card for entry 4332106

Structure parameters

• Formula: C33 H37 B Mo N6 O2 S2
• Calculated formula: C33 H37 B Mo N6 O2 S2
• Title of publication: Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)
• Authors of publication: Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4791 - 4800
• a: 9.946 ± 0.001 Å
• b: 11.832 ± 0.0011 Å
• c: 15.2025 ± 0.0015 Å
• α: 88.173 ± 0.002°
• β: 78.319 ± 0.002°
• γ: 79.183 ± 0.002°
• Cell volume: 1720.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No