Information card for entry 4327721

Structure parameters

• Formula: C34 H34 Cl2 N6 Ni O4
• Calculated formula: C34 H34 Cl2 N6 Ni O4
• SMILES: c1c(ccc[n]1[Ni](Cl)(Cl)([n]1cc(ccc1)NC(=O)Nc1cccc2ccccc12)([OH]C)[OH]C)NC(=O)Nc1cccc2ccccc12
• Title of publication: Synthesis, crystal structure, and fluorescence studies of (1-naphthyl)(pyridyl)urea metal complexes
• Authors of publication: Huang, X; Xia, Y; Zhang, H; Yan, Z; Tang, Y; Yang, X-J; Wu, B
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2008
• Journal volume: 11
• Pages of publication: 450 - 453
• a: 8.4859 ± 0.0017 Å
• b: 22.277 ± 0.005 Å
• c: 8.7065 ± 0.0017 Å
• α: 90°
• β: 105.71 ± 0.03°
• γ: 90°
• Cell volume: 1584.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No