Information card for entry 7703789

Structure parameters

• Formula: C10 H24 N14 O10 S2
• Calculated formula: C10 H24 N14 O10 S2
• Title of publication: Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones.
• Authors of publication: Zhang, Shiyu; Cheng, Guangbin; Yang, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5590 - 5596
• a: 6.069 ± 0.0003 Å
• b: 8.383 ± 0.0006 Å
• c: 12.2268 ± 0.0006 Å
• α: 83.361 ± 0.002°
• β: 78.909 ± 0.002°
• γ: 75.168 ± 0.002°
• Cell volume: 588.65 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No