Information card for entry 7233923

Structure parameters

• Formula: C56 H113 Cl13 Cu14 N42 O95
• Calculated formula: C56 H45 Cl13 Cu14 N42 O95
• Title of publication: Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks
• Authors of publication: Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 50
• Pages of publication: 29357
• a: 35.294 ± 0.003 Å
• b: 20.8571 ± 0.0017 Å
• c: 23.37 ± 0.003 Å
• α: 90°
• β: 98.149 ± 0.005°
• γ: 90°
• Cell volume: 17030 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1768
• Residual factor for significantly intense reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.2663
• Weighted residual factors for all reflections included in the refinement: 0.2873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No