Information card for entry 7718797

Structure parameters

• Formula: C12 H14 Bi Cl5 I2 N2
• Calculated formula: C12 H14 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: 7.3832 ± 0.0004 Å
• b: 14.2708 ± 0.0007 Å
• c: 19.6817 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.75 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No