Information card for entry 7016333

Structure parameters

• Formula: C109.2 H128.8 Cl2 Fe4 Gd3 N23 O52.2
• Calculated formula: C109.2 H108 Cl2 Fe4 Gd3 N23 O52.2
• Title of publication: Expanding the 3d-4f heterometallic chemistry of the (py)(2)CO and pyCOpyCOpy ligands: structural, magnetic and Mössbauer spectroscopic studies of two Fe(II)-Gd(III) co mplexes.
• Authors of publication: Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8199 - 8205
• a: 12.1691 ± 0.0002 Å
• b: 21.9863 ± 0.0004 Å
• c: 52.5951 ± 0.0009 Å
• α: 90°
• β: 93.598 ± 0.001°
• γ: 90°
• Cell volume: 14044.3 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No