Information card for entry 4110370

Structure parameters

• Formula: C30 H30 N6 Zn
• Calculated formula: C30 H30 N6 Zn
• SMILES: [Zn]1([N](=CC=Cc2ccc(N(C)C)cc2)c2ccccc2[N]1=CC=Cc1ccc(N(C)C)cc1)(C#N)C#N
• Title of publication: Zinc(II)- and Copper(I)-Mediated Large Two-Photon Absorption Cross Sections in a Bis-cinnamaldiminato Schiff Base
• Authors of publication: Sanjib Das; Amit Nag; Debabrata Goswami; Parimal K. Bharadwaj
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 402 - 403
• a: 8.025 ± 0.004 Å
• b: 23.927 ± 0.011 Å
• c: 15.071 ± 0.007 Å
• α: 90°
• β: 95.995 ± 0.009°
• γ: 90°
• Cell volume: 2878 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No