Information card for entry 1512857

Structure parameters

• Formula: C33 H26 Cu2 F6 Mo4 N6 O15 P2
• Calculated formula: C33 H20 Cu2 F6 Mo4 N6 O15 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: 9.3474 ± 0.0006 Å
• b: 9.9968 ± 0.0006 Å
• c: 11.2297 ± 0.0007 Å
• α: 84.626 ± 0.001°
• β: 70.064 ± 0.001°
• γ: 83.678 ± 0.001°
• Cell volume: 978.7 ± 0.11 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: 0.0271
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No