Information card for entry 7016332

Structure parameters

• Formula: C65 H72 Cl2 Fe Gd N9 O21
• Calculated formula: C65 H72 Cl2 Fe Gd N9 O21
• 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: 15.2861 ± 0.0002 Å
• b: 20.4785 ± 0.0003 Å
• c: 22.7891 ± 0.0004 Å
• α: 90°
• β: 105.574 ± 0.001°
• γ: 90°
• Cell volume: 6871.9 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No