Information card for entry 7715004

Structure parameters

• Common name: (methyl 3-formyl-4-hydroxybenzoate)(1,10-phenanthroline)aquacopper(II) tetrafluoroborate monohydrate
• Chemical name: (methyl 3-formyl-4-hydroxybenzoate)(1,10-phenanthroline)aquacopper(II) tetrafluoroborate monohydrate
• Formula: C21 H19 B Cu F4 N2 O6
• Calculated formula: C21 H17 B Cu F4 N2 O5
• Title of publication: Cu(II) complexes with a salicylaldehyde derivative and α-diimines as co-ligands: synthesis, characterization, biological activity. Experimental and theoretical approach.
• Authors of publication: Selaković, Snežana; Rodić, Marko V; Novaković, Irena; Matić, Ivana Z; Stanojković, Tatjana; Pirković, Andrea; Živković, Lada; Spremo-Potparević, Biljana; Milčić, Miloš; Medaković, Vesna; Dimiza, Filitsa; Psomas, George; Anđelković, Katarina; Šumar-Ristović, Maja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2770 - 2788
• a: 19.8478 ± 0.0006 Å
• b: 16.7632 ± 0.0003 Å
• c: 13.8843 ± 0.0004 Å
• α: 90°
• β: 105.192 ± 0.003°
• γ: 90°
• Cell volume: 4458 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No