Information card for entry 4300780

Structure parameters

• Formula: C25 H26 Cl2 N2 O Zn
• Calculated formula: C25 H26 Cl2 N2 O Zn
• SMILES: [Zn]1(Oc2c(cc(cc2\C=[NH+]/[C@@H](C)c2ccccc2)C)C=[N]1[C@@H](C)c1ccccc1)(Cl)Cl
• Title of publication: Self-Assembly of a Fluorescent Chiral Zinc(II) Complex That Leads to Supramolecular Helices
• Authors of publication: Prabhakar, Maddela; Zacharias, Panthapally S.; Das, Samar K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2585 - 2587
• a: 9.614 ± 0.002 Å
• b: 13.825 ± 0.003 Å
• c: 18.667 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No