Information card for entry 1576720

Structure parameters

• Common name: 027bec23
• Chemical name: [Cu3(k1-O2CH)(k2:u2-O2CH)(dppm)3]
• Formula: C83 H74 Cu3 O4 P6
• Calculated formula: C83 H74 Cu3 O4 P6
• 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: 10.8464 ± 0.0002 Å
• b: 41.8005 ± 0.0006 Å
• c: 17.7632 ± 0.0002 Å
• α: 90°
• β: 94.963 ± 0.001°
• γ: 90°
• Cell volume: 8023.4 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No