Information card for entry 4133031

Structure parameters

• Formula: C606 H672 N54 O30 Zn6
• Calculated formula: C606 H216 N54 O30 Zn6
• Title of publication: Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.
• Authors of publication: Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14547 - 14551
• a: 39.074 ± 0.005 Å
• b: 39.074 ± 0.005 Å
• c: 39.074 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59657 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.3894
• Weighted residual factors for all reflections included in the refinement: 0.4095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.779
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No