Information card for entry 7246400

Structure parameters

• Formula: C14 H14 Cl2 Cu2 N8 O8 S2
• Calculated formula: C14 H14 Cl2 Cu2 N8 O8 S2
• Title of publication: Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media
• Authors of publication: Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2213 - 2226
• a: 14.812 ± 0.014 Å
• b: 9.144 ± 0.004 Å
• c: 17.494 ± 0.009 Å
• α: 90°
• β: 104.95 ± 0.09°
• γ: 90°
• Cell volume: 2289 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No