Information card for entry 7229232

Structure parameters

• Chemical name: 1
• Formula: C38 H28 Co2 N2 O14 S2
• Calculated formula: C38 H28 Co2 N2 O14 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: 12.7549 ± 0.0011 Å
• b: 13.762 ± 0.0011 Å
• c: 21.742 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3816.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.2604
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No