Information card for entry 1558841

Structure parameters

• Common name: Charles4 (Sinai)
• Chemical name: NiAAEMA
• Formula: C100 H122 Ni6 O54
• Calculated formula: C100 H122 Ni6 O54
• Title of publication: Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks.
• Authors of publication: Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N.
• Journal of publication: Soft matter
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8591 - 8601
• a: 11.942 ± 0.0019 Å
• b: 16.17 ± 0.0017 Å
• c: 17.035 ± 0.003 Å
• α: 63.651 ± 0.015°
• β: 79.41 ± 0.07°
• γ: 78.27 ± 0.02°
• Cell volume: 2869.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No