Information card for entry 1512855

Structure parameters

• Formula: C31 H34 Cu2 F3 Mo2 N6 O16.5 P2
• Calculated formula: C31 H23 Cu2 F3 Mo2 N6 O11 P2
• Title of publication: Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4":2',2"'-quarterpyridyl-6',6'-di-2-pyridine)
• Authors of publication: Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 44 - 57
• a: 9.4285 ± 0.001 Å
• b: 13.1589 ± 0.0013 Å
• c: 15.9484 ± 0.0016 Å
• α: 86.836 ± 0.002°
• β: 78.19 ± 0.002°
• γ: 84.923 ± 0.002°
• Cell volume: 1927.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No