Information card for entry 2019103

Structure parameters

• Chemical name: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(nitrato-κ<i>O</i>)zinc(II)
• Formula: C16 H36 N6 O6 Zn
• Calculated formula: C16 H36 N6 O6 Zn
• SMILES: C1[NH]2C(C[C@H](C)[NH]3CC[NH]4[Zn]23(ON(=O)=O)([NH]([C@@H](CC4(C)C)C)C1)ON(=O)=O)(C)C
• Title of publication: Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl
• Authors of publication: Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 862 - 867
• a: 12.9252 ± 0.0009 Å
• b: 11.7664 ± 0.0005 Å
• c: 15.5628 ± 0.001 Å
• α: 90°
• β: 113.352 ± 0.008°
• γ: 90°
• Cell volume: 2173 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes