Information card for entry 7227184

Structure parameters

• Formula: C34 H33 Cu2 N4 O12.5
• Calculated formula: C34 H32 Cu2 N4 O12.5
• 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: 8.3536 ± 0.0003 Å
• b: 10.032 ± 0.0004 Å
• c: 10.2798 ± 0.0004 Å
• α: 87.419 ± 0.004°
• β: 86.088 ± 0.003°
• γ: 78.661 ± 0.004°
• Cell volume: 842.26 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No