Information card for entry 7219824

Structure parameters

• Formula: C94 H152 Cl4 N12 O34 Zn4
• Calculated formula: C92 H128 Cl2 N12 O20 Zn4
• Title of publication: Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles
• Authors of publication: Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 2974
• a: 9.421 ± 0.0017 Å
• b: 22.221 ± 0.005 Å
• c: 29.851 ± 0.007 Å
• α: 110.023 ± 0.013°
• β: 90.136 ± 0.013°
• γ: 97.835 ± 0.012°
• Cell volume: 5809 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.2524
• Residual factor for significantly intense reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.3696
• Weighted residual factors for all reflections included in the refinement: 0.4216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No