Information card for entry 7704505

Structure parameters

• Chemical name: Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]methyl)bis(phenyl)phosphine-P)-copper(I)
• Formula: C51 H49 Cl2 Cu I N6 O3 P
• Calculated formula: C51 H49 Cl2 Cu I N6 O3 P
• SMILES: [Cu]1(I)([P](CN2CCN(CC2)c2ccc(cc2)OC[C@@H]2CO[C@@](O2)(Cn2cncc2)c2c(Cl)cc(Cl)cc2)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.[Cu]1(I)([P](CN2CCN(CC2)c2ccc(cc2)OC[C@H]2CO[C@](O2)(Cn2cncc2)c2c(Cl)cc(Cl)cc2)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• Title of publication: New anticandidal Cu(i) complexes with neocuproine and ketoconazole derived diphenyl(aminomethyl)phosphane: luminescence properties for detection in fungal cells.
• Authors of publication: Starosta, Radosław; de Almeida, Rodrigo F. M.; Puchalska, Małgorzata; Białońska, Agata; Panek, Jarosław J; Jezierska, Aneta; Szmigiel, Ida; Suchodolski, Jakub; Krasowska, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8528 - 8539
• a: 10.126 ± 0.003 Å
• b: 15.384 ± 0.003 Å
• c: 16.655 ± 0.003 Å
• α: 97.07 ± 0.04°
• β: 98.7 ± 0.03°
• γ: 102.69 ± 0.03°
• Cell volume: 2468.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2275
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No