Information card for entry 4500725

Structure parameters

• Formula: C21 H33 I3 N4 S3
• Calculated formula: C21 H33 I3 N4 S3
• Title of publication: A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.
• Authors of publication: Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir
• Journal of publication: Crystal growth & design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 959 - 963
• a: 10.5433 ± 0.0005 Å
• b: 11.4203 ± 0.0006 Å
• c: 24.5107 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2951.3 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No