Information card for entry 7041006

Structure parameters

• Formula: C34 H36 N6 Ni O8 S2
• Calculated formula: C34 H36 N6 Ni O8 S2
• Title of publication: Synthesis, structures, magnetic, and theoretical investigations of layered Co and Ni thiocyanate coordination polymers.
• Authors of publication: Suckert, Stefan; Rams, Michał; Böhme, Michael; Germann, Luzia S.; Dinnebier, Robert E.; Plass, Winfried; Werner, Julia; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18190 - 18201
• a: 11.0327 ± 0.0003 Å
• b: 14.2185 ± 0.0003 Å
• c: 11.9259 ± 0.0004 Å
• α: 90°
• β: 95.618 ± 0.002°
• γ: 90°
• Cell volume: 1861.81 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No