Information card for entry 1575115

Structure parameters

• Formula: C104 H99 N10 O3 Si3
• Calculated formula: C104 H99 N10 O3 Si3
• Title of publication: Silicon(IV) tetraazachlorin - an unusual cycloaddition product from 3,4-diphenyl-1<i>H</i>-pyrrole-2,5-diimine.
• Authors of publication: Rychikhina, Ekaterina D.; Ivanova, Svetlana S.; Somov, Nikolay V.; Lazovskiy, Dmitry A.; Stuzhin, Pavel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 11822 - 11827
• a: 16.3522 ± 0.0004 Å
• b: 35.9188 ± 0.0006 Å
• c: 16.5121 ± 0.0004 Å
• α: 90°
• β: 116.594 ± 0.003°
• γ: 90°
• Cell volume: 8672.3 ± 0.4 ų
• Cell temperature: 106 ± 10 K
• Ambient diffraction temperature: 106 ± 10 K
• Number of distinct elements: 5
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.2891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No