Information card for entry 7248963

Structure parameters

• Formula: C27 H29 F9 Ho N11 O9 S3
• Calculated formula: C27 H29 F9 Ho N11 O9 S3
• Title of publication: Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand
• Authors of publication: Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 31
• Pages of publication: 4167 - 4180
• a: 18.775 ± 0.0007 Å
• b: 10.2574 ± 0.0002 Å
• c: 21.0038 ± 0.0006 Å
• α: 90°
• β: 101.76 ± 0.003°
• γ: 90°
• Cell volume: 3960.1 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No