Information card for entry 7030425

Structure parameters

• Formula: C65 H72 Cl2 Cu Gd N9 O21
• Calculated formula: C65 H72 Cl2 Cu Gd 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: 15.3013 ± 0.0002 Å
• b: 20.5209 ± 0.0003 Å
• c: 22.6575 ± 0.0004 Å
• α: 90°
• β: 105.363 ± 0.001°
• γ: 90°
• Cell volume: 6860.15 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No