Information card for entry 7231863

Structure parameters

• Common name: [Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N
• Formula: C76 H74 Cl Co4 N7 O12 S4
• Calculated formula: C72 H62 Cl Co4 N6 O12 S4
• Title of publication: Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D
• Authors of publication: Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 68
• Pages of publication: 39208
• a: 11.5232 ± 0.0002 Å
• b: 21.9302 ± 0.0004 Å
• c: 20.4472 ± 0.0004 Å
• α: 90°
• β: 93.037 ± 0.001°
• γ: 90°
• Cell volume: 5159.87 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No