Information card for entry 7105325

Structure parameters

• Formula: C84 H80 Cl4 Cu2 Fe2 N2 O2 P4
• Calculated formula: C84 H80 Cl4 Cu2 Fe2 N2 O2 P4
• Title of publication: Stabilising a quinonoid-bridged dicopper(I) complex by use of a dppf (dppf = (diphenylphosphino)ferrocene) backbone.
• Authors of publication: Paretzki, Alexa; Pattacini, Roberto; Huebner, Ralph; Braunstein, Pierre; Sarkar, Biprajit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 1497 - 1499
• a: 17.5376 ± 0.0003 Å
• b: 19.2134 ± 0.0005 Å
• c: 23.0786 ± 0.0006 Å
• α: 90°
• β: 94.991 ± 0.001°
• γ: 90°
• Cell volume: 7747 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No