Information card for entry 7206844

Structure parameters

• Formula: C12 H11 K N6 O6
• Calculated formula: C12 H11 K N6 O6
• 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: 11.8049 ± 0.0012 Å
• b: 10.08 ± 0.001 Å
• c: 13.9721 ± 0.0015 Å
• α: 90°
• β: 105.108 ± 0.001°
• γ: 90°
• Cell volume: 1605.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No