Information card for entry 7239710

Structure parameters

• Formula: C56 H74 Cd2 Cl4 N16 O25
• Calculated formula: C56 H64 Cd2 Cl4 N16 O25
• Title of publication: Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies
• Authors of publication: Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 751 - 766
• a: 11.4937 ± 0.0006 Å
• b: 14.6527 ± 0.0007 Å
• c: 22.6545 ± 0.0006 Å
• α: 71.776 ± 0.003°
• β: 87.979 ± 0.003°
• γ: 85.994 ± 0.004°
• Cell volume: 3614.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No