Information card for entry 1567589

Structure parameters

• Formula: C33 H24 N4
• Calculated formula: C33 H24 N4
• SMILES: n1c(cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1c1cccnc1)c1cccnc1
• 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: 34.855 ± 0.005 Å
• b: 8.6116 ± 0.0008 Å
• c: 30.178 ± 0.005 Å
• α: 90°
• β: 146.585 ± 0.007°
• γ: 90°
• Cell volume: 4988.3 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No