Information card for entry 1512853

Structure parameters

• Formula: C34 H39 Cu2 Mo5 N6 O26.5 P2
• Calculated formula: C34 H37 Cu2 Mo5 N6 O26.5 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: 10.4478 ± 0.0016 Å
• b: 15.021 ± 0.002 Å
• c: 15.994 ± 0.002 Å
• α: 100.314 ± 0.003°
• β: 104.841 ± 0.003°
• γ: 90.885 ± 0.003°
• Cell volume: 2382.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No