Information card for entry 7251552

Structure parameters

• Formula: C4 H16 Cl2 N2 O4
• Calculated formula: C4 H16 Cl2 N2 O4
• 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: 7.3636 ± 0.0004 Å
• b: 11.0879 ± 0.0006 Å
• c: 6.0534 ± 0.0003 Å
• α: 90°
• β: 99.808 ± 0.002°
• γ: 90°
• Cell volume: 487.02 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No