Information card for entry 7035266

Structure parameters

• Formula: C27 H25 Cu I N2 O P
• Calculated formula: C27 H25 Cu I N2 O P
• SMILES: [Cu]1(I)([n]2c(ccc3ccc4ccc([n]1c4c23)C)C)[P](CO)(c1ccccc1)c1ccccc1
• Title of publication: Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.
• Authors of publication: Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12688 - 12699
• a: 9.904 ± 0.003 Å
• b: 14.416 ± 0.004 Å
• c: 34.669 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4950 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No