Information card for entry 1567587

Structure parameters

• Formula: C73 H59 Cl9 Co N10 O2 S2
• Calculated formula: C72 H58 Cl6 Co N10 O2 S2
• SMILES: C(Cl)(Cl)Cl.[Co]([n]1cccc(c2cc(cc(n2)c2cnccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)([n]1cccc(c2cc(cc(n2)c2cnccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)(N=C=S)(N=C=S)([OH]C)[OH]C.C(Cl)(Cl)Cl
• 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: 14.7142 ± 0.0009 Å
• b: 9.842 ± 0.0005 Å
• c: 25.64 ± 0.0017 Å
• α: 90°
• β: 94.944 ± 0.005°
• γ: 90°
• Cell volume: 3699.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No