Information card for entry 8106555

Structure parameters

• Formula: C33 H29 B Cl N5 S
• Calculated formula: C33 H29 B Cl N5 S
• Title of publication: Synthesis and crystal structure of 2-((5-chlorobenzo[c][1,2,5]thiadiazol-4-yl)amino)-4,5-dihydro-1H-imidazol-3-ium tetraphenylborate, C33H29BClN5S
• Authors of publication: Ghabbour, Hazem A.; Mostafa, Gamal A.E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 421 - 422
• a: 11.2163 ± 0.0007 Å
• b: 15.2998 ± 0.001 Å
• c: 19.5929 ± 0.0011 Å
• α: 90°
• β: 122.251 ± 0.003°
• γ: 90°
• Cell volume: 2843.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No