Information card for entry 7227186

Structure parameters

• Formula: C141 H167 Cu9 N21 O55
• Calculated formula: C141 H135 Cu9 N21 O55
• Title of publication: Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand
• Authors of publication: Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 376
• a: 22.535 ± 0.003 Å
• b: 22.535 ± 0.003 Å
• c: 29.635 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13033 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7293 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No