Information card for entry 2216667

Structure parameters

• Chemical name: Bis(μ-4-carboxybenzene-1,2-dicarboxylato)- 1:2κ^3^O^3^,O^4^:O^3^;1:2κ^3^O^3^:O^3^,O^4^- bis[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-1-yl)quinoline-3- carboxylato-κ^2^<i>O</i>,<i>O</i>'] dizinc(II) hexahydrate
• Formula: C50 H56 F2 N6 O24 Zn2
• Calculated formula: C50 H56 F2 N6 O24 Zn2
• SMILES: C1(=O)O[Zn]23(OC(=O)c4cn(c5c(c4=[O]2)cc(F)c(c5)N2CC[NH2+]CC2)CC)[O](C(=O)c2c1ccc(c2)C(=O)O)[Zn]12(OC(=O)c4c(cc(cc4)C(=O)O)C(=O)[O]31)OC(=O)c1cn(c3c(c1=[O]2)cc(F)c(N1CC[NH2+]CC1)c3)CC.O.O.O.O.O.O
• Title of publication: Bis(μ-4-carboxybenzene-1,2-dicarboxylato)-1:2κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^;1:2κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^-bis[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-1-yl)quinoline-3-carboxylato-κ^2^<i>O</i>,<i>O</i>']dizinc(II) hexahydrate
• Authors of publication: Jun Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2965 - m2965
• a: 11.296 ± 0.002 Å
• b: 11.764 ± 0.002 Å
• c: 12.398 ± 0.003 Å
• α: 66.95 ± 0.03°
• β: 87.62 ± 0.03°
• γ: 61.97 ± 0.03°
• Cell volume: 1317.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes