Information card for entry 7112934

Structure parameters

• Formula: C55 H76 Cl6 Cu7 N20 O29
• Calculated formula: C55 H68 Cl6 Cu7 N20 O29
• Title of publication: Single-crystal-to-single-crystal structural transformations of two sandwich-like Cu(ii) pyrazolate complexes and their excellent catalytic performances in MMA polymerization.
• Authors of publication: Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Lang, Jian-Ping; Cheng, Zhen-Ping; Zhu, Xiu-Lin; Abrahams, Brendan F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8430 - 8432
• a: 13.717 ± 0.007 Å
• b: 14.32 ± 0.009 Å
• c: 14.657 ± 0.003 Å
• α: 62.48 ± 0.06°
• β: 62.25 ± 0.06°
• γ: 80.88 ± 0.08°
• Cell volume: 2254 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1939
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3239
• Weighted residual factors for all reflections included in the refinement: 0.3702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No