Information card for entry 7053124

Structure parameters

• Formula: C76 H90 Cd2 N8 O20
• Calculated formula: C60 H54 Cd2 N4 O16
• Title of publication: Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker
• Authors of publication: Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1494
• a: 15.3997 ± 0.0009 Å
• b: 15.4635 ± 0.0009 Å
• c: 17.2247 ± 0.001 Å
• α: 93.145 ± 0.003°
• β: 114.157 ± 0.002°
• γ: 100.775 ± 0.003°
• Cell volume: 3636.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.098
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No