Information card for entry 4516536

Structure parameters

• Common name: Cu complex
• Formula: C61 H44 Cu2 N6 O12 P4
• Calculated formula: C61 H44 Cu2 N6 O12 P4
• Title of publication: Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces
• Authors of publication: Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5665
• a: 11.8953 ± 0.0009 Å
• b: 13.1283 ± 0.001 Å
• c: 22.3913 ± 0.0018 Å
• α: 77.037 ± 0.005°
• β: 89.771 ± 0.004°
• γ: 69.057 ± 0.004°
• Cell volume: 3171.3 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No