Information card for entry 4344417

Structure parameters

• Formula: C23 H10 F12 Mn N2 O4 S2
• Calculated formula: C23 H10 F12 Mn N2 O4 S2
• Title of publication: Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.
• Authors of publication: Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10766 - 10775
• a: 6.4766 ± 0.0004 Å
• b: 13.0615 ± 0.0009 Å
• c: 15.8126 ± 0.0012 Å
• α: 92.587 ± 0.006°
• β: 97.091 ± 0.006°
• γ: 93.764 ± 0.005°
• Cell volume: 1322.64 ± 0.16 ų
• Cell temperature: 99.95 ± 0.18 K
• Ambient diffraction temperature: 99.95 ± 0.18 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No