Information card for entry 4507779

Structure parameters

• Formula: C14 H20 Cl6 N4 O5 Sn
• Calculated formula: C14 H20 Cl6 N4 O5 Sn
• Title of publication: Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies
• Authors of publication: Daszkiewicz, Marek
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2277
• a: 12.5392 ± 0.0003 Å
• b: 9.2956 ± 0.0002 Å
• c: 20.6018 ± 0.0004 Å
• α: 90°
• β: 99.435 ± 0.002°
• γ: 90°
• Cell volume: 2368.85 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No