Information card for entry 7202289

Structure parameters

• Common name: ((PymPO)Zn(H2O))
• Formula: C8 H12 N4 O8 P2 Zn
• Calculated formula: C8 H12 N4 O8 P2 Zn
• 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: 12.5436 ± 0.0014 Å
• b: 7.0918 ± 0.0008 Å
• c: 15.5908 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1386.9 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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