Information card for entry 4323346

Structure parameters

• Formula: C48 H76 Cl2 Gd2 N4 O4 Si4
• Calculated formula: C48 H76 Cl2 Gd2 N4 O4 Si4
• SMILES: c1(ccccc1)N([Si](C)(C)[Si](C)(C)N1c2ccccc2)[Gd]12([O]1CCCC1)([Cl][Gd]1(N(c3ccccc3)[Si](C)(C)[Si](C)(N1c1ccccc1)C)([O]1CCCC1)([O]1CCCC1)[Cl]2)[O]1CCCC1
• Title of publication: Novel Cyclopentadienyl-Free Organolanthanides: The First Examples of Five-Membered Amidolanthanide Heterocycles
• Authors of publication: Syed A. A. Shah; Hendrik Dorn; Herbert W. Roesky; Paolo Lubini; Hans-Georg Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1102 - 1106
• a: 13.913 ± 0.013 Å
• b: 12.914 ± 0.009 Å
• c: 16.434 ± 0.014 Å
• α: 90°
• β: 105.64 ± 0.03°
• γ: 90°
• Cell volume: 2843 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.0694
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No