Information card for entry 7046923

Structure parameters

• Formula: C14 H12 Cr N4 S2
• Calculated formula: C14 H12 Cr N4 S2
• Title of publication: 3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl.
• Authors of publication: Shuku, Yoshiaki; Hirai, Yuta; Semenov, Nikolay A.; Kadilenko, Evgeny; Gritsan, Nina P.; Zibarev, Andrey V.; Rakitin, Oleg A.; Awaga, Kunio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9897 - 9902
• a: 7.911 ± 0.002 Å
• b: 7.6175 ± 0.0018 Å
• c: 11.328 ± 0.003 Å
• α: 90°
• β: 98.728 ± 0.003°
• γ: 90°
• Cell volume: 674.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No