Information card for entry 1567586

Structure parameters

• Formula: C54 H50 Cl6 Co N10 S2
• Calculated formula: C54 H50 Cl6 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: 8.3422 ± 0.0001 Å
• b: 16.5164 ± 0.0003 Å
• c: 19.9774 ± 0.0003 Å
• α: 90°
• β: 100.072 ± 0.001°
• γ: 90°
• Cell volume: 2710.13 ± 0.07 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: 0.1143
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No