Information card for entry 8101727

Structure parameters

• Chemical name: tris(1,10-phenanthroline-N,N')iron(II) suberate tetradecahydrate
• Formula: C44 H64 Fe N6 O18
• Calculated formula: C44 H64 Fe N6 O18
• Title of publication: Crystal structure of tris(1,10-phenanthroline-N,N')iron(II) suberate tetradecahydrate, [Fe(C~12~H~8~N~2~)~3~](C~8~H~12~O~4~) · 14H~2~O
• Authors of publication: Z.-F. Li; Y.-Q. Zheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 162 - 164
• a: 23.318 ± 0.005 Å
• b: 12.097 ± 0.002 Å
• c: 19.446 ± 0.004 Å
• α: 90°
• β: 114.34 ± 0.03°
• γ: 90°
• Cell volume: 4998 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No