Information card for entry 7221744

Structure parameters

• Formula: C10 H11 Cl I N4 O2 S
• Calculated formula: C10 H11 Cl I N4 O2 S
• 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: 5.6561 ± 0.0006 Å
• b: 11.4126 ± 0.0012 Å
• c: 12.2064 ± 0.0012 Å
• α: 116.614 ± 0.001°
• β: 91.131 ± 0.002°
• γ: 104.114 ± 0.002°
• Cell volume: 675.58 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No