Information card for entry 7718798

Structure parameters

• Formula: C13 H16 Bi Cl5 I2 N2
• Calculated formula: C13 H16 Bi Cl5 I2 N2
• Title of publication: Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl₅](I₂)} halogen bond-linked supramolecular complexes.
• Authors of publication: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10294 - 10303
• a: 14.3756 ± 0.0003 Å
• b: 18.7195 ± 0.0004 Å
• c: 8.2348 ± 0.0002 Å
• α: 90°
• β: 97.212 ± 0.001°
• γ: 90°
• Cell volume: 2198.49 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.051
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No