Information card for entry 4308452

Structure parameters

• Formula: C34 H52 Gd2 N6 O
• Calculated formula: C34 H52 Gd2 N6 O
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Gd]16789%102345([N](=C(N(C)C)[N]1(C)C)[Gd]12345%11%12%13%14([cH]%15[cH]1[cH]2[cH]3[cH]4%15)([cH]1[cH]5[cH]%12[cH]%13[cH]%111)[N]9=C(N(C)C)[N]%14(C)C)[cH]1[cH]6[cH]7[cH]8[cH]%101.O1CCCC1
• Title of publication: Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures
• Authors of publication: Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 716 - 722
• a: 14.626 ± 0.005 Å
• b: 15.245 ± 0.005 Å
• c: 16.531 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3686 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No