Information card for entry 8103271

Structure parameters

• Formula: C63 H43.5 Br4 Cu2 N14.5 O2 P2
• Calculated formula: C63 H43.5 Br4 Cu2 N14.5 O2 P2
• Title of publication: Crystal structure of (m-(bis(diphenylphosphino)ethane dioxide-kO,O')bis([2,3-f]-pyrazino-[1,10]phenanthroline-2,3-dicarbonitrile-kN,N')bis(dibromido)dicopper(II) — acetonitrile (1:2.5), [Cu2(C26H24P2O2)(C16H6N6)2Br4] · 2.5CH3CN
• Authors of publication: Zhong-Feng Li; Ye-Lan Xiao; Qi-Ming Qiu; Man-Hua Wu; Qiong-Hua Jin; Cun-Lin Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 24
• a: 31.63 ± 0.03 Å
• b: 9.6802 ± 0.0011 Å
• c: 24.65 ± 0.002 Å
• α: 90°
• β: 119.995 ± 0.002°
• γ: 90°
• Cell volume: 6537 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No