Information card for entry 7018179

Structure parameters

• Formula: C16 H12 Mn2 N8 S4
• Calculated formula: C16 H12 Mn2 N8 S4
• Title of publication: Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).
• Authors of publication: Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2626 - 2631
• a: 7.8413 ± 0.0005 Å
• b: 17.1764 ± 0.001 Å
• c: 7.8467 ± 0.0005 Å
• α: 90°
• β: 96.034 ± 0.001°
• γ: 90°
• Cell volume: 1050.98 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No