Information card for entry 7130646

Structure parameters

• Formula: C114 H129 N22 O14 Zn2
• Calculated formula: C86 H87 N8 O14 Zn2
• Title of publication: Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.
• Authors of publication: Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 64
• Pages of publication: 9026 - 9029
• a: 26.2351 ± 0.001 Å
• b: 28.6675 ± 0.001 Å
• c: 36.1762 ± 0.0013 Å
• α: 90°
• β: 101.005 ± 0.007°
• γ: 90°
• Cell volume: 26707.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.4128 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No