Information card for entry 7042188

Structure parameters

• Formula: C15 H20 Cl2 N3 O3
• Calculated formula: C15 H20 Cl2 N3 O3
• 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: 9.9033 ± 0.0004 Å
• b: 15.5532 ± 0.0006 Å
• c: 10.9352 ± 0.0004 Å
• α: 90°
• β: 99.474 ± 0.004°
• γ: 90°
• Cell volume: 1661.35 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No