Information card for entry 1576717

Structure parameters

• Common name: 021bec22
• Chemical name: [Cu2(dppm'')2{Zn(C6F5)2}2]
• Formula: C88 H54 Cu2 F20 O4 P4 Zn2
• Calculated formula: C88 H54 Cu2 F20 O4 P4 Zn2
• Title of publication: Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.
• Authors of publication: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 564 - 578
• a: 12.6129 ± 0.0003 Å
• b: 13.151 ± 0.0004 Å
• c: 14.4377 ± 0.0004 Å
• α: 82.473 ± 0.002°
• β: 66.962 ± 0.002°
• γ: 64.233 ± 0.002°
• Cell volume: 1982.48 ± 0.11 ų
• Cell temperature: 150.01 ± 0.17 K
• Ambient diffraction temperature: 150.01 ± 0.17 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: 0.0288
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No