Information card for entry 7239711

Structure parameters

• Formula: C36.8 H34 Cd N8.4 O6 S2
• Calculated formula: C34 H32 Cd N8 O6 S2
• 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: 9.8814 ± 0.0003 Å
• b: 14.19 ± 0.0004 Å
• c: 15.7164 ± 0.0005 Å
• α: 94.95 ± 0.003°
• β: 91.893 ± 0.003°
• γ: 100.06 ± 0.003°
• Cell volume: 2159.13 ± 0.12 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0591
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No