Information card for entry 7209131

Structure parameters

• Formula: C7 H6 N4 Ni S2
• Calculated formula: C7 H6 N4 Ni S2
• Title of publication: Exploration and synthesis of condensed coordination networks with modified magnetic properties
• Authors of publication: Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 945
• a: 14.2691 ± 0.0011 Å
• b: 5.6188 ± 0.0004 Å
• c: 13.7419 ± 0.001 Å
• α: 90°
• β: 101.886 ± 0.009°
• γ: 90°
• Cell volume: 1078.14 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0707
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No