Information card for entry 4338402

Structure parameters

• Common name: 12245b
• Formula: C35 H46 Cl2 Cu F12 N4 O Sb2
• Calculated formula: C35 H46 Cl2 Cu F12 N4 O Sb2
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12([O]=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)Nc1c(cccc1C(C)C)C(C)C)[N]#CC.ClCCl.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.
• Authors of publication: Boyce, David W.; Salmon, Debra J.; Tolman, William B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5788 - 5796
• a: 12.9023 ± 0.0006 Å
• b: 19.3103 ± 0.0009 Å
• c: 17.8355 ± 0.0009 Å
• α: 90°
• β: 93.796 ± 0.001°
• γ: 90°
• Cell volume: 4433.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No