Information card for entry 4132952

Structure parameters

• Formula: C71 H79 N5 Ni2 O23 Zn2
• Calculated formula: C71 H73 N5 Ni2 O23 Zn2
• Title of publication: Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.
• Authors of publication: Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13786 - 13792
• a: 12.27 ± 0.003 Å
• b: 14.116 ± 0.004 Å
• c: 23.055 ± 0.006 Å
• α: 101.594 ± 0.005°
• β: 90.371 ± 0.004°
• γ: 110.5 ± 0.003°
• Cell volume: 3651.1 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No