Information card for entry 2207413

Structure parameters

• Chemical name: catena-Poly[[Aqua[bis(2-pyridylmethyl)amino-6-caproato]zinc(II) perchlorate]
• Formula: C18 H24 Cl N3 O7 Zn
• Calculated formula: C18 H24 Cl N3 O7 Zn
• SMILES: [Zn]123([O]=C(O1)CCCCC[N]14[Zn]([OH2])([n]5ccccc5C1)[n]1c(C4)cccc1)([OH2])[n]1ccccc1C[N]2(Cc1[n]3cccc1)CCCCCC(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[aquazinc(II)]-μ-6-[bis(2-pyridylmethyl)amino]caproato] perchlorate]
• Authors of publication: Choi, Ki-Young; Ryu, Haiil; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2474 - m2476
• a: 15.9996 ± 0.0007 Å
• b: 15.3187 ± 0.0006 Å
• c: 16.7417 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4103.3 ± 0.3 ų
• Cell temperature: 233.5 ± 0.2 K
• Ambient diffraction temperature: 233.5 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes