Information card for entry 7246345

Structure parameters

• Formula: C18 H16 Cl5 Fe N2 O2
• Calculated formula: C18 H16 Cl5 Fe N2 O2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[nH+]1cccc2cccc(c12)O.[nH+]1cccc2cccc(c12)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: 7.4707 ± 0.0002 Å
• b: 10.1801 ± 0.0002 Å
• c: 14.1377 ± 0.0004 Å
• α: 86.275 ± 0.002°
• β: 86.472 ± 0.002°
• γ: 84.89 ± 0.002°
• Cell volume: 1066.99 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No