Information card for entry 7719805

Structure parameters

• Formula: C6 H13 Cl3 N12 Zn
• Calculated formula: C6 H13 Cl3 N12 Zn
• 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: 12.1055 ± 0.0004 Å
• b: 18.3525 ± 0.0005 Å
• c: 6.6402 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.23 ± 0.08 ų
• Cell temperature: 150 ± 0.18 K
• Ambient diffraction temperature: 150 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No