Information card for entry 7221747

Structure parameters

• Formula: C22 H28 Br2 N8 O5 S2
• Calculated formula: C22 H28 Br2 N8 O5 S2
• Title of publication: Synthesis of tetrahalide dianions directed by crystal engineering
• Authors of publication: Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 6641
• a: 5.709 ± 0.003 Å
• b: 11.532 ± 0.006 Å
• c: 12.116 ± 0.006 Å
• α: 62.675 ± 0.008°
• β: 79.693 ± 0.009°
• γ: 77.507 ± 0.009°
• Cell volume: 689 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.082
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No