Information card for entry 7206843

Structure parameters

• Formula: C12 H11 Cl2 N5 O3 Zn
• Calculated formula: C12 H11 Cl2 N5 O3 Zn
• SMILES: [Zn]12(Cl)(Cl)[N](NC(=[O]2)c2n(cc(N(=O)=O)c2)C)=Cc2[n]1cccc2
• Title of publication: A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence
• Authors of publication: Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 7086
• a: 7.5944 ± 0.0008 Å
• b: 12.6407 ± 0.0013 Å
• c: 16.4624 ± 0.0016 Å
• α: 90°
• β: 93.97 ± 0.001°
• γ: 90°
• Cell volume: 1576.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No