Information card for entry 4341931

Structure parameters

• Formula: C31 H28 Cd Cl2 N8 O8
• Calculated formula: C31 H28 Cd Cl2 N8 O8
• Title of publication: Selective anion exchange and tunable luminescent behaviors of metal-organic framework based supramolecular isomers.
• Authors of publication: Manna, Biplab; Singh, Shweta; Karmakar, Avishek; Desai, Aamod V.; Ghosh, Sujit K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 110 - 116
• a: 11.9813 ± 0.0011 Å
• b: 22.629 ± 0.002 Å
• c: 13.4193 ± 0.0013 Å
• α: 90°
• β: 103.465 ± 0.002°
• γ: 90°
• Cell volume: 3538.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0366
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No