Information card for entry 1517633

Structure parameters

• Formula: C40 H40 Cu2 N6 O14 P4
• Calculated formula: C40 H36 Cu2 N6 O14 P4
• 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: 8.759 ± 0.006 Å
• b: 9.008 ± 0.006 Å
• c: 13.506 ± 0.009 Å
• α: 89.597 ± 0.011°
• β: 86.049 ± 0.01°
• γ: 71.486 ± 0.009°
• Cell volume: 1008 ± 1.2 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: 0.027
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0757
• 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: Yes
• Has Fobs: No