Information card for entry 7209130

Structure parameters

• Formula: C12 H12 N6 Ni S2
• Calculated formula: C12 H12 N6 Ni S2
• SMILES: [Ni](N=C=S)([n]1ccnc(c1)C)(SC#N)[n]1ccnc(c1)C
• 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: 18.33206 ± 0.00042 Å
• b: 9.39332 ± 0.00022 Å
• c: 11.2837 ± 0.00027 Å
• α: 90°
• β: 124.643 ± 0.0019°
• γ: 90°
• Cell volume: 1598.56 ± 0.07 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 1.512
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No