Information card for entry 4130639

Structure parameters

• Common name: cmh_iii_dmk3_a
• Formula: C152 H140 Au Ga4 K8 N12 O52 P2
• Calculated formula: C149.976 H101.928 Au0.747 Ga4 K8 N12 O51 P1.494
• Title of publication: Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.
• Authors of publication: Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9682 - 9693
• a: 19.9478 ± 0.001 Å
• b: 60.836 ± 0.003 Å
• c: 19.5518 ± 0.0011 Å
• α: 90°
• β: 118.988 ± 0.002°
• γ: 90°
• Cell volume: 20754.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1738
• Residual factor for significantly intense reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.3701
• Weighted residual factors for all reflections included in the refinement: 0.3814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.2276 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No