Information card for entry 1561280

Structure parameters

• Common name: AB21
• Formula: C27 H45 Cd2 I4 N9 O2 S4
• Calculated formula: C27 H43 Cd2 I4 N9 O2 S4
• Title of publication: Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers
• Authors of publication: Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 618 - 627
• a: 11.8833 ± 0.0004 Å
• b: 13.1374 ± 0.0005 Å
• c: 14.5214 ± 0.0005 Å
• α: 91.9071 ± 0.0011°
• β: 102.751 ± 0.0012°
• γ: 94.9222 ± 0.0011°
• Cell volume: 2199.77 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No