Information card for entry 4516537

Structure parameters

• Formula: C80 H76.5 Cu2 N6 O29.25 P8
• Calculated formula: C80 H76.5 Cu2 N6 O29.25 P8
• 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: 14.1943 ± 0.0009 Å
• b: 23.6474 ± 0.0014 Å
• c: 25.3309 ± 0.0015 Å
• α: 90°
• β: 105.595 ± 0.001°
• γ: 90°
• Cell volume: 8189.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No