Information card for entry 7229233

Structure parameters

• Chemical name: 2
• Formula: C40 H26 Co2 N2 O12 S2
• Calculated formula: C40 H26 Co2 N2 O12 S2
• Title of publication: Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers
• Authors of publication: Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 72
• Pages of publication: 45582
• a: 15.9968 ± 0.0012 Å
• b: 22.134 ± 0.0016 Å
• c: 12.5998 ± 0.0009 Å
• α: 90°
• β: 104.056 ± 0.004°
• γ: 90°
• Cell volume: 4327.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No