Information card for entry 7208772

Structure parameters

• Formula: C42 H48 Cd3 Cl3 N5 O21.5
• Calculated formula: C42 H33 Cd3 Cl3 N5 O15
• Title of publication: A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties
• Authors of publication: Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8368
• a: 34.628 ± 0.002 Å
• b: 18.2216 ± 0.0006 Å
• c: 23.1357 ± 0.0018 Å
• α: 90°
• β: 118.404 ± 0.009°
• γ: 90°
• Cell volume: 12840.7 ± 1.7 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: 0.1183
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2796
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No