Information card for entry 7207171

Structure parameters

• Common name: [Zn(DMSO)4(H2O)2][Zn2TCNQ3]
• Formula: C44 H40 N12 O6 S4 Zn3
• Calculated formula: C36 H12 N12 Zn3
• Title of publication: A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2
• Authors of publication: Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 351
• a: 12.7447 ± 0.0004 Å
• b: 12.7447 ± 0.0004 Å
• c: 10.7107 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1506.63 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2757
• Weighted residual factors for all reflections included in the refinement: 0.2859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No