Information card for entry 7229583

Structure parameters

• Formula: C36 H30 Cd Cl2 N6 O12
• Calculated formula: C36 H30 Cd Cl2 N6 O12
• Title of publication: A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand
• Authors of publication: Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 16.581 ± 0.002 Å
• b: 15.248 ± 0.002 Å
• c: 15.9 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No