Information card for entry 2014858

Structure parameters

• Common name: poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]
• Chemical name: poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]
• Formula: C15 H21 K2 N O8 P2
• Calculated formula: C15 H21 K2 N O8 P2
• SMILES: [K+].[K+].O.P(=O)([O-])(O)c1ccccc1.P(=O)([O-])(O)c1ccccc1.O=CN(C)C
• Title of publication: Layered poly[μ~2~-aqua-μ~3~-dimethylformamide-di-μ~3~-phenylphosphonato-dipotassium]
• Authors of publication: Siquiera, Márcia R.; Facco, Janaina T.; Lang, Ernesto S.; Lorenzini, Fabiane; Rizzatti, Mara R.; Ellena, Javier; Burrow, Robert A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m161 - m164
• a: 16.988 ± 0.005 Å
• b: 8.264 ± 0.005 Å
• c: 16.684 ± 0.005 Å
• α: 90°
• β: 115.545 ± 0.005°
• γ: 90°
• Cell volume: 2113.3 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes