Information card for entry 7102273

Structure parameters

• Common name: Manganese(ii) 2,3,5,6-Tetrafluoro-7,7,8,8- Tetracyanoquinodimethane
• Formula: C51 H61 F12 Mn2 N12 O15.5
• Calculated formula: C50.994 H61 F12 Mn2 N12 O15.5
• Title of publication: Conversion of a porous material based on a Mn(II)-TCNQF(4) honeycomb net to a molecular magnet upon desolvation.
• Authors of publication: Lopez, Nazario; Zhao, Hanhua; Prosvirin, Andrey V; Chouai, Abdellatif; Shatruk, Michael; Dunbar, Kim R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4611 - 4613
• a: 9.5382 ± 0.0017 Å
• b: 14.957 ± 0.003 Å
• c: 23.021 ± 0.004 Å
• α: 90°
• β: 91.399 ± 0.003°
• γ: 90°
• Cell volume: 3283.2 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No