Information card for entry 7019776

Structure parameters

• Formula: C16 H18 Co3.5 N12 O10.5 S
• Calculated formula: C16 H15 Co3.5 N12 O10.5 S
• Title of publication: A (3, 4, 14)-connected framework with various distorted triangular magnetic lattices exhibiting field-induced metamagnetism, spin competition and spin reorientation.
• Authors of publication: Liu, Zhong-Yi; Ding, Bo; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9611 - 9614
• a: 14.143 ± 0.002 Å
• b: 12.699 ± 0.002 Å
• c: 15.039 ± 0.003 Å
• α: 90°
• β: 96.866 ± 0.003°
• γ: 90°
• Cell volume: 2681.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No