Information card for entry 2204212

Structure parameters

• Chemical name: heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6- bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato- 1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^,N',O'',O''')dizinc(II)sodium(I) pentahydrate
• Formula: C16 H38 Cl N2 Na O21 Zn2
• Calculated formula: C16 H38 Cl N2 Na O21 Zn2
• SMILES: [Zn]12([N]3(Cc4cc(Cl)cc5c4[O]1[Zn]14([N](C5)(CC(=O)O1)CC(=O)O4)([OH2])[OH2])CC(=O)O2)([O](C(=O)C3)[Na]([OH2])([OH2])[OH2])([OH2])[OH2].O.O.O.O.O
• Title of publication: An Na‒O‒Zn‒O‒Zn bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate
• Authors of publication: Gao, Fei; Meng, Bian-Hong; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1225 - m1227
• a: 10.281 ± 0.009 Å
• b: 11.733 ± 0.01 Å
• c: 13.974 ± 0.012 Å
• α: 95.781 ± 0.011°
• β: 109.593 ± 0.011°
• γ: 103.043 ± 0.011°
• Cell volume: 1518 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes