Information card for entry 7718421

Structure parameters

• Formula: C10 H27 Bi I6 N3 O3
• Calculated formula: C10 H27 Bi I6 N3 O3
• Title of publication: A new supramolecular tecton: the crucial impact of the polycation charge and geometry of H-bonds on the structure and properties of halometallates in the solid state.
• Authors of publication: Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Bykov, Mikhail A.; Kalinin, Mikhail A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Gontcharenko, Victoria E.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 6983 - 6992
• a: 25.489 ± 0.005 Å
• b: 8.8457 ± 0.0018 Å
• c: 11.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No