Information card for entry 7021736

Structure parameters

• Formula: C14 H20 Co N6 O2 S2
• Calculated formula: C14 H20 Co N6 O2 S2
• Title of publication: Synthesis, structures and magnetic properties of Fe(ii) and Co(ii) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.
• Authors of publication: Wöhlert, Susanne; Peters, Lars; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10746 - 10758
• a: 7.3778 ± 0.0007 Å
• b: 10.1202 ± 0.0005 Å
• c: 14.0457 ± 0.0016 Å
• α: 90°
• β: 105.909 ± 0.009°
• γ: 90°
• Cell volume: 1008.55 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No