Information card for entry 2217133

Structure parameters

• Chemical name: catena-Poly[[diaqua[1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4- dihydroquinoline-3-carboxylato-κ^2^O,O']nickel(II)]-μ-4,4'-oxydibenzoato- κ^2^O:O']
• Formula: C30 H30 F N3 Ni O10
• Calculated formula: C30 H30 F N3 Ni O10
• SMILES: [Ni]1(OC(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)[O-])(Oc2c(c[n+](c3c2cc(F)c(c3)N2CC[NH2+]CC2)CC)C(=O)O1)([OH2])([OH2])OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)O[Ni]1(Oc2c(c[n+](c3c2cc(F)c(c3)N2CC[NH2+]CC2)CC)C(=O)O1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaqua[1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>,<i>O</i>']nickel(II)]-μ-4,4'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Jun Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m17 - m17
• a: 10.105 ± 0.002 Å
• b: 12.23 ± 0.002 Å
• c: 13.052 ± 0.003 Å
• α: 72.5 ± 0.03°
• β: 73.13 ± 0.03°
• γ: 77.57 ± 0.03°
• Cell volume: 1457.6 ± 0.6 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: 0.0495
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes