Information card for entry 7219964

Structure parameters

• Formula: C78 H105 N14 Nd3 O61 S4
• Calculated formula: C78 H92 N14 Nd3 O61 S4
• Title of publication: Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest
• Authors of publication: Husain, Ahmad; Oliver, Clive L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3023
• a: 15.987 ± 0.0015 Å
• b: 18.722 ± 0.0018 Å
• c: 19.304 ± 0.0019 Å
• α: 116.971 ± 0.002°
• β: 91.384 ± 0.002°
• γ: 90.88 ± 0.002°
• Cell volume: 5145.7 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1143
• 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