Information card for entry 7240157

Structure parameters

• Formula: C33 H24 N6 Ni O6
• Calculated formula: C33 H24 N6 Ni O6
• Title of publication: Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers
• Authors of publication: Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 21.683 ± 0.003 Å
• b: 15.164 ± 0.003 Å
• c: 19.852 ± 0.003 Å
• α: 90°
• β: 102.807 ± 0.004°
• γ: 90°
• Cell volume: 6365 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No