Information card for entry 2206375

Structure parameters

• Chemical name: (meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)zinc(II) diperchlorate
• Formula: C16 H32 Cl2 N4 O8 Zn
• Calculated formula: C16 H32 Cl2 N4 O8 Zn
• SMILES: C1(C)CC(C)(C)[NH]2[Zn]34[NH](CC[N]=13)C(CC(C)=[N]4CC2)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: (<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)zinc(II) diperchlorate
• Authors of publication: Yang, Yu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1618 - m1619
• a: 10.323 ± 0.002 Å
• b: 10.63 ± 0.002 Å
• c: 11.018 ± 0.002 Å
• α: 90°
• β: 111.71 ± 0.03°
• γ: 90°
• Cell volume: 1123.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes