Information card for entry 4502353

Structure parameters

• Formula: C32 H58 Mg N4 Na2 O21 S12
• Calculated formula: C32 H12 Mg N4 Na2 O21 S12
• Title of publication: Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety
• Authors of publication: Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2090
• a: 32.429 ± 0.0018 Å
• b: 10.082 ± 0.0005 Å
• c: 16.636 ± 0.0009 Å
• α: 90°
• β: 93.742 ± 0.001°
• γ: 90°
• Cell volume: 5427.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.2643
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No