Information card for entry 7719804

Structure parameters

• Formula: C12 H26 Cl4 N24 O2 Zn3
• Calculated formula: C12 H26 Cl4 N24 O2 Zn3
• Title of publication: Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)
• Authors of publication: Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P.
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 10.53581 ± 0.00013 Å
• b: 10.58069 ± 0.00013 Å
• c: 13.8676 ± 0.00019 Å
• α: 72.4808 ± 0.0012°
• β: 79.26 ± 0.0011°
• γ: 89.9677 ± 0.001°
• Cell volume: 1445.83 ± 0.03 ų
• Cell temperature: 150.02 ± 0.17 K
• Ambient diffraction temperature: 150.02 ± 0.17 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: 0.0175
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No