Information card for entry 4132130

Structure parameters

• Common name: [Cu4(2-pyr-4-ppyr-cb)2(hfacac)8].8CHCl3
• Chemical name: [Cu4(K2,K1-2-pyr-4-ppyr-cb)]2[hfacac]8.8CHCl3
• Formula: C60 H36 Cl12 Cu2 F24 N4 O8
• Calculated formula: C60 H36 Cl12 Cu2 F24 N4 O8
• Title of publication: Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded "Superassembly" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.
• Authors of publication: Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 14
• Pages of publication: 4940 - 4944
• a: 14.24 ± 0.003 Å
• b: 16.4 ± 0.003 Å
• c: 17.079 ± 0.003 Å
• α: 74.866 ± 0.005°
• β: 84.001 ± 0.005°
• γ: 78.978 ± 0.005°
• Cell volume: 3772.9 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 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: 0.0849
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No