Information card for entry 7209128

Structure parameters

• Formula: C14 H20 N6 Ni O2 S2
• Calculated formula: C14 H20 N6 Ni O2 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: 7.3832 ± 0.0004 Å
• b: 10.0762 ± 0.0004 Å
• c: 13.9767 ± 0.0007 Å
• α: 90°
• β: 104.536 ± 0.004°
• γ: 90°
• Cell volume: 1006.51 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No