Information card for entry 4312944

Structure parameters

• Formula: C70 H78 Fe6 Gd2 O20
• Calculated formula: C70 H60 Fe6 Gd2 O20
• SMILES: C1(=[O][Gd]23(O1)([OH2])([O]=C([c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[cH]4[cH]1[cH]8[cH]9[cH]%104)O[Gd]41(OC(=[O]4)[c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]9[cH]%11[cH]%10[cH]45)([OH2])([O]=C([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]4[cH]9[cH]%10[cH]%115)O2)([O]=C(O1)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[cH]92)[OH]C)([O]=C(O3)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[OH]C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.O.CO.O.CO
• Title of publication: Synthesis, Crystal Structures, and Magnetic Properties of Three Novel Ferrocenecarboxylato-Bridged Lanthanide Dimers
• Authors of publication: Hongwei Hou; Gang Li; Linke Li; Yu Zhu; Xiangru Meng; Yaoting Fan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 428 - 435
• a: 11.019 ± 0.002 Å
• b: 12.122 ± 0.002 Å
• c: 15.297 ± 0.003 Å
• α: 75.46 ± 0.03°
• β: 87.25 ± 0.03°
• γ: 65.25 ± 0.03°
• Cell volume: 1792.3 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections: 0.2808
• Weighted residual factors for significantly intense reflections: 0.2553
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No