Information card for entry 7018819

Structure parameters

• Formula: C165 H186 B4 Cl2 Cu4 N24 O8
• Calculated formula: C165 H186 B4 Cl2 Cu4 N24 O8
• 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: 9.0009 ± 0.0007 Å
• b: 11.2392 ± 0.0009 Å
• c: 38.765 ± 0.003 Å
• α: 97.899 ± 0.002°
• β: 91.176 ± 0.002°
• γ: 93.499 ± 0.002°
• Cell volume: 3875.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1021
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No