Information card for entry 7251548

Structure parameters

• Formula: C2 H12 Cl2 N2 O1.87
• Calculated formula: C2 H12 Cl2 N2 O1.871
• Title of publication: Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering
• Authors of publication: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 1225 - 1237
• a: 11.1837 ± 0.0004 Å
• b: 5.9656 ± 0.0002 Å
• c: 11.0793 ± 0.0004 Å
• α: 90°
• β: 98.964 ± 0.001°
• γ: 90°
• Cell volume: 730.15 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No