Information card for entry 7251504

Structure parameters

• Formula: C10 H10 Bi Br2 Cl5 I2 N2
• Calculated formula: C10 H10 Bi Br2 Cl5 I2 N2
• Title of publication: Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds
• Authors of publication: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 1197 - 1205
• a: 14.89 ± 0.0005 Å
• b: 7.1531 ± 0.0002 Å
• c: 20.9598 ± 0.0007 Å
• α: 90°
• β: 98.109 ± 0.001°
• γ: 90°
• Cell volume: 2210.1 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No