Information card for entry 2011593

Structure parameters

• Chemical name: Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-N^2^]pyridine-N}zinc(II) diperchlorate bis(nitromethane) solvate
• Formula: C60 H64 Cl2 N12 O12 Zn
• Calculated formula: C60 H64 Cl2 N12 O12 Zn
• SMILES: [Zn]1234([n]5c(cccc5n5[n]2c(cc5)c2c(cc(cc2C)C)C)n2[n]1c(cc2)c1c(cc(cc1C)C)C)[n]1c(cccc1n1[n]4c(cc1)c1c(cc(cc1C)C)C)n1[n]3c(cc1)c1c(cc(cc1C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CN(=O)=O.CN(=O)=O
• Title of publication: Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}zinc(II) diperchlorate bis(nitromethane) solvate
• Authors of publication: Malcolm A. Halcrow; Colin A. Kilner; Mark Thornton-Pett
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1425 - 1426
• a: 11.9913 ± 0.0002 Å
• b: 19.8605 ± 0.0003 Å
• c: 25.1833 ± 0.0003 Å
• α: 90°
• β: 100.024 ± 0.0009°
• γ: 90°
• Cell volume: 5905.93 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes