Information card for entry 7050596

Structure parameters

• Formula: C15 H28 Cl2 N4 O Zn
• Calculated formula: C15 H28 Cl2 N4 O Zn
• SMILES: [Zn]123(Cl)[NH]4Cc5ccccc5C[NH]1CC[NH]2CCC[NH]3CC4.[Cl-].O
• Title of publication: Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes
• Authors of publication: Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1132 - 1139
• a: 7.105 ± 0.0002 Å
• b: 11.219 ± 0.0003 Å
• c: 12.264 ± 0.0004 Å
• α: 98.202 ± 0.0011°
• β: 95.208 ± 0.0011°
• γ: 92.828 ± 0.0013°
• Cell volume: 961.66 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No