Information card for entry 7234936

Structure parameters

• Formula: C9 H13 Cl4 N3 O Sn
• Calculated formula: C9 H13 Cl4 N3 O Sn
• Title of publication: Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition
• Authors of publication: Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 2818
• a: 7.006 ± 0.005 Å
• b: 9.684 ± 0.005 Å
• c: 11.987 ± 0.005 Å
• α: 69.91 ± 0.005°
• β: 89.44 ± 0.005°
• γ: 84.97 ± 0.005°
• Cell volume: 760.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No