Information card for entry 7021737

Structure parameters

• Formula: C27 H29 Co N12 S2
• Calculated formula: C27 H29 Co N12 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: 8.1838 ± 0.0006 Å
• b: 13.5028 ± 0.0011 Å
• c: 15.2673 ± 0.0011 Å
• α: 101.562 ± 0.009°
• β: 99.853 ± 0.009°
• γ: 96.48 ± 0.01°
• Cell volume: 1609.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No