Information card for entry 7035265

Structure parameters

• Formula: C73 H70 Cu2 F2 I2 N8 O4 P2
• Calculated formula: C73 H70 Cu2 F2 I2 N8 O4 P2
• SMILES: [Cu]1(I)([P](CN2[C@@H](CN(C[C@@H]2C)c2c(F)c(N)c3c(c2F)n(cc(c3=O)C(=O)O)C2CC2)C)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.[Cu]1(I)([P](CO)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• 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: 48.92 ± 0.003 Å
• b: 10.128 ± 0.001 Å
• c: 34.906 ± 0.002 Å
• α: 90°
• β: 116.38 ± 0.01°
• γ: 90°
• Cell volume: 15494 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.275
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No