Information card for entry 4308453

Structure parameters

• Formula: C52 H70 Gd2 N8 O4
• Calculated formula: C52 H70 Gd2 N8 O4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Gd]16789%102345([cH]2[cH]1[cH]6[cH]8[cH]72)[N](=C(/N=C(/N(C)C)N(C)C)[O]9[Gd]123456789([cH]%11[cH]4[cH]3[cH]2[cH]1%11)([cH]1[cH]5[cH]6[cH]7[cH]91)[N](=C(/N=C(N(C)C)/N(C)C)[O]%108)c1ccccc1)c1ccccc1.O1CCCC1.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: 8.865 ± 0.003 Å
• b: 10.953 ± 0.003 Å
• c: 13.984 ± 0.004 Å
• α: 97.327 ± 0.004°
• β: 92.531 ± 0.004°
• γ: 100.162 ± 0.004°
• Cell volume: 1322.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No