Information card for entry 7246344

Structure parameters

• Formula: C36 H36 Bi Cl7 N4 O6
• Calculated formula: C36 H36 Bi Cl7 N4 O6
• SMILES: [Bi](Cl)(Cl)([Cl-])([Cl-])([Cl-])Cl.Oc1c2[nH+]cccc2ccc1.Oc1cccc2ccc[nH+]c12.c12c(cccc1ccc[nH+]2)O.c12c(cccc1ccc[nH+]2)O.[Cl-].O.O
• Title of publication: On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline
• Authors of publication: Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1993 - 2002
• a: 8.3593 ± 0.0001 Å
• b: 13.0386 ± 0.0002 Å
• c: 18.9457 ± 0.0003 Å
• α: 76.385 ± 0.001°
• β: 83.619 ± 0.001°
• γ: 84.652 ± 0.001°
• Cell volume: 1989.69 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.0329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No