Information card for entry 4330022

Structure parameters

• Formula: C34 H44 Cd2 N4 O6
• Calculated formula: C34 H44 Cd2 N4 O6
• SMILES: [N]12CC(C[N]3[Cd]451([O]=C(O4)C)[O]1c4c(cc(cc4C=2)CC)C=[N]2CC(C)(C[N]4=Cc6c(c(cc(c6)CC)C=3)[O]5[Cd]3124[O]=C(O3)C)C)(C)C
• 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: 8.9664 ± 0.0004 Å
• b: 9.0191 ± 0.0004 Å
• c: 12.6124 ± 0.0005 Å
• α: 70.242 ± 0.002°
• β: 86.565 ± 0.002°
• γ: 66.566 ± 0.002°
• Cell volume: 877.44 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No