Information card for entry 1567588

Structure parameters

• Formula: C52.8 H48.8 Cl2.4 Co N10 S2
• Calculated formula: C52.8 H48.8 Cl2.4 Co N10 S2
• Title of publication: To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate
• Authors of publication: Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Crystals
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1136
• a: 13.3183 ± 0.0003 Å
• b: 12.5045 ± 0.0002 Å
• c: 15.2418 ± 0.0004 Å
• α: 90°
• β: 96.533 ± 0.002°
• γ: 90°
• Cell volume: 2521.87 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No