Information card for entry 7018818

Structure parameters

• Formula: C87 H106 B2 Cl6 Cu2 N12
• Calculated formula: C87 H106 B2 Cl6 Cu2 N12
• Title of publication: Hydrotris(3-mesitylpyrazolyl)borato-copper(i) alkyne complexes: synthesis, structural characterization and rationalization of their activities as alkyne cyclopropenation catalysts.
• Authors of publication: Martín, Carmen; Sierra, Marta; Alvarez, Eleuterio; Belderrain, Tomás R; Pérez, Pedro J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5319 - 5325
• a: 11.1908 ± 0.0005 Å
• b: 12.0506 ± 0.0005 Å
• c: 16.6731 ± 0.0007 Å
• α: 77.708 ± 0.0009°
• β: 83.173 ± 0.001°
• γ: 89.212 ± 0.001°
• Cell volume: 2181.19 ± 0.16 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: 0.0664
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No