Information card for entry 4330017

Structure parameters

• Formula: C30 H38 Cl2 N4 O2 Zn2
• Calculated formula: C30 H38 Cl2 N4 O2 Zn2
• SMILES: c12c3cc(cc1C=[N]1CC(C[N]4=Cc5c6c(cc(c5)CC)C=[N]5CC(C[N](=C3)[Zn]35([O]2[Zn]14([O]63)Cl)Cl)(C)C)(C)C)CC
• Title of publication: Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions
• Authors of publication: Samit Majumder; Leena Mandal; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8739 - 8749
• a: 10.0033 ± 0.0007 Å
• b: 12.2384 ± 0.0008 Å
• c: 13.003 ± 0.0009 Å
• α: 90°
• β: 107.016 ± 0.003°
• γ: 90°
• Cell volume: 1522.2 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No