Information card for entry 4504721

Structure parameters

• Formula: C16 H20.5 N3 O3.75 S
• Calculated formula: C16 H20.5 N3 O3.75 S
• Title of publication: Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate
• Authors of publication: Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 546
• a: 8.373 ± 0.0002 Å
• b: 9.009 ± 0.0003 Å
• c: 11.65 ± 0.0003 Å
• α: 102.601 ± 0.002°
• β: 109.008 ± 0.002°
• γ: 97.34 ± 0.002°
• Cell volume: 791.81 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No