Information card for entry 8102537

Structure parameters

• Formula: C38 H22 Cl2 F2 N8 O2 Zn
• Calculated formula: C38 H22 Cl2 F2 N8 O2 Zn
• Title of publication: Crystal structure of aqua[bis[2-(2-chloro-6-fluorophenyl)imidazo[4,5-f][1,10]phenanthroline]zinc(II)]] monohydrate, Zn(H2O)(C19H9N4FCl)2 · H2O
• Authors of publication: Zhan-Lin Xu; Xiao-Yuan Ma; Xiu-Yan Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 661
• a: 13.1806 ± 0.0013 Å
• b: 18.9875 ± 0.0019 Å
• c: 13.5282 ± 0.0013 Å
• α: 90°
• β: 104.736 ± 0.001°
• γ: 90°
• Cell volume: 3274.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No