Information card for entry 8107120

Structure parameters

• Formula: C62 H60 Cd2 F2 N6 O19
• Calculated formula: C62 H60 Cd2 F2 N6 O19
• Title of publication: Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3 O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
• Authors of publication: Zhu, Ling; Hu, Yong-Jun; An, Zhe; Zhou, Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1123 - 1125
• a: 9.749 ± 0.004 Å
• b: 12.884 ± 0.005 Å
• c: 13.869 ± 0.005 Å
• α: 70.103 ± 0.004°
• β: 80.201 ± 0.004°
• γ: 68.648 ± 0.004°
• Cell volume: 1523.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No