Information card for entry 7042190

Structure parameters

• Formula: C60 H80 Cl4 N12 O18 Zn4
• Calculated formula: C60 H52 Cl4 N12 O18.09 Zn4
• Title of publication: Synthesis of new photosensitive H2BBQ(2+)[ZnCl4](2-)/[(ZnCl)2(μ-BBH)] complexes, through selective oxidation of H2O to H2O2.
• Authors of publication: Stylianou, M.; Hadjiadamou, I.; Drouza, C.; Hayes, S. C.; Lariou, E.; Tantis, I.; Lianos, P.; Tsipis, A. C.; Keramidas, A. D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3688 - 3699
• a: 9.3736 ± 0.0004 Å
• b: 15.0452 ± 0.0005 Å
• c: 26.422 ± 0.0011 Å
• α: 99.029 ± 0.003°
• β: 96.378 ± 0.004°
• γ: 108.01 ± 0.004°
• Cell volume: 3448.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No