Information card for entry 4336964

Structure parameters

• Formula: C36 H51 F6 N6 O4 P Zn2
• Calculated formula: C36 H51 F6 N6 O4 P Zn2
• SMILES: [Zn]1234[N]5CCN(CC[N]1=Cc1cc(C(C)(C)C)cc6c1[O]2[Zn]127([N](=C6)CC[N]1(CC[N]2=Cc1c([O]37)c(C=5)cc(C(C)(C)C)c1)C)[O]=C(O4)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn
• Authors of publication: Subhadeep Kal; Alexander S. Filatov; Peter H. Dinolfo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13963 - 13973
• a: 12.29 ± 0.002 Å
• b: 16.324 ± 0.003 Å
• c: 21.628 ± 0.004 Å
• α: 90°
• β: 106.093 ± 0.003°
• γ: 90°
• Cell volume: 4169 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No