Information card for entry 4338405

Structure parameters

• Common name: 12152
• Formula: C36 H45 Cl2 N7 O Zn
• Calculated formula: C36 H45 Cl2 N7 O Zn
• SMILES: [Zn]12(Cl)([O]=C(Nc3c(cccc3C(C)C)C(C)C)c3[n]1c(C(=[N]2c1c(cccc1C)C)C)ccc3)Cl.N#CC.N#CC.N#CC.N#CC
• 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: 25.876 ± 0.005 Å
• b: 8.9106 ± 0.0016 Å
• c: 35.414 ± 0.006 Å
• α: 90°
• β: 106.93 ± 0.002°
• γ: 90°
• Cell volume: 7812 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No