Information card for entry 7246977

Structure parameters

• Common name: Cd(PyImPr)2-kgd-open
• Chemical name: Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]
• Formula: C20 H14 Cd N4 O8
• Calculated formula: C20 H14 Cd N4 O8
• 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: 5.0173 ± 0.0001 Å
• b: 9.6508 ± 0.0003 Å
• c: 11.4756 ± 0.0003 Å
• α: 82.357 ± 0.001°
• β: 79.568 ± 0.001°
• γ: 80.006 ± 0.001°
• Cell volume: 535.21 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No