Information card for entry 7241823

Structure parameters

• Formula: C114 H135 Cu12 N24 O36
• Calculated formula: C114 H135 Cu12 N24 O36
• Title of publication: An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers
• Authors of publication: Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1332 - 1335
• a: 36.336 ± 0.004 Å
• b: 36.336 ± 0.004 Å
• c: 36.336 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47975 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No