Information card for entry 4346513

Structure parameters

• Formula: C32 H42 B Cu F2 N10 O2 S2
• Calculated formula: C32 H42 B Cu F2 N10 O2 S2
• SMILES: CNC1=N[N]2=C(C(C)=[N]3[Cu]2(S1)SC(=N3)Nc1ccc(cc1)C1=c2c(cc(C)[n]2[B](n2c1c(cc2C)C)(F)F)C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy.
• Authors of publication: Hickey, James L.; James, Janine L.; Henderson, Clare A.; Price, Katherine A.; Mot, Alexandra I.; Buncic, Gojko; Crouch, Peter J.; White, Jonathan M.; White, Anthony R.; Smith, Trevor A.; Donnelly, Paul S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9556 - 9567
• a: 7.1471 ± 0.0007 Å
• b: 15.8888 ± 0.0011 Å
• c: 17.5263 ± 0.0015 Å
• α: 66.87 ± 0.007°
• β: 80.516 ± 0.008°
• γ: 84.99 ± 0.007°
• Cell volume: 1804.7 ± 0.3 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 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: 0.1332
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No