Information card for entry 7011844

Structure parameters

• Formula: C13 H7 N6 Ni S4
• Calculated formula: C13 H7 N6 Ni S4
• Title of publication: Spontaneous magnetization below 7.7 K based on an extended 3-D H-bonding network material: synthesis, crystal structure and magnetic properties
• Authors of publication: Ren, Xiaoming; Chen, Youcun; He, Cheng; Gao, Song
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3915
• a: 41.312 ± 0.001 Å
• b: 6.457 ± 0.001 Å
• c: 12.958 ± 0.001 Å
• α: 90°
• β: 93.73 ± 0.01°
• γ: 90°
• Cell volume: 3449.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No