Information card for entry 7246976

Structure parameters

• Common name: Cd(PyImPr)2-hlz-alpha
• Chemical name: Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]
• Formula: C26 H28 Cd N6 O10
• Calculated formula: C26 H28 Cd N6 O10
• Title of publication: Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.
• Authors of publication: Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 29
• Pages of publication: 4175 - 4181
• a: 5.0968 ± 0.0001 Å
• b: 18.2442 ± 0.0003 Å
• c: 15.0256 ± 0.0003 Å
• α: 90°
• β: 96.058 ± 0.001°
• γ: 90°
• Cell volume: 1389.38 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No