Information card for entry 7202288

Structure parameters

• Common name: (((PymPO3(H))2Cu2(H2O)4)(SO3CF3)2.H2O)n
• Formula: C10 H20 Cu2 F6 N4 O18 P2 S2
• Calculated formula: C10 H20 Cu2 F6 N4 O18 P2 S2
• Title of publication: 5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers
• Authors of publication: Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1372
• a: 13.9181 ± 0.0015 Å
• b: 11.6269 ± 0.0013 Å
• c: 18.8112 ± 0.0016 Å
• α: 90°
• β: 116.025 ± 0.006°
• γ: 90°
• Cell volume: 2735.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No