Information card for entry 4346512

Structure parameters

• Formula: C30 H41 B F2 N8 O2 S4 Zn
• Calculated formula: C30 H41 B F2 N8 O2 S4 Zn
• SMILES: CNC1=N[N]2=C(C(C)=[N]3N=C(Nc4ccc(cc4)C4=c5c(cc(C)[n]5[B](n5c4c(cc5C)C)(F)F)C)S[Zn]23([O]=S(C)C)S1)C.CS(C)=O
• 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: 11.0973 ± 0.0017 Å
• b: 13.769 ± 0.003 Å
• c: 13.847 ± 0.002 Å
• α: 114.133 ± 0.017°
• β: 111.069 ± 0.015°
• γ: 90.039 ± 0.014°
• Cell volume: 1774.5 ± 0.7 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: 0.2188
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.544
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No