Information card for entry 1517638

Structure parameters

• Formula: C20 H24 Cu N2 O9 P2
• Calculated formula: C20 H24 Cu N2 O9 P2
• Title of publication: Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands
• Authors of publication: Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 63 - 77
• a: 10.6221 ± 0.0008 Å
• b: 10.9369 ± 0.0009 Å
• c: 11.4714 ± 0.0009 Å
• α: 66.84 ± 0.001°
• β: 64.883 ± 0.001°
• γ: 84.088 ± 0.001°
• Cell volume: 1106.13 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0319
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No