Information card for entry 7030427

Structure parameters

• Formula: C65 H72 Cl2 Gd Mn N9 O21
• Calculated formula: C65 H72 Cl2 Gd Mn N9 O21
• Title of publication: Isomorphous replacement of MII ions in MII–GdIII dimers (MII = CuII, MnII, NiII, CoII, ZnII): magnetic studies of the products
• 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
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 5020
• a: 15.338 ± 0.002 Å
• b: 20.491 ± 0.002 Å
• c: 23.225 ± 0.003 Å
• α: 90°
• β: 106.096 ± 0.007°
• γ: 90°
• Cell volume: 7013.3 ± 1.5 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: 0.0497
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No