Information card for entry 4313828

Structure parameters

• Formula: C34 H53 La N6 O Si3
• Calculated formula: C34 H53 La N6 O Si3
• SMILES: [La]12345(N(c6ccccc6)[Si]([N]16CC[N]2([Si](N5c1ccccc1)(C)C)CC[N]3([Si](N4c1ccccc1)(C)C)CC6)(C)C)[O]1CCCC1
• Title of publication: Triamidotriazacyclononane Complexes of Group 3 Metals. Synthesis and Crystal Structures
• Authors of publication: Bernardo Monteiro; Dmitrii Roitershtein; Humberto Ferreira; José R. Ascenso; Ana M. Martins; Ângela Domingos; Noémia Marques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4223 - 4231
• a: 11.752 ± 0.002 Å
• b: 18.536 ± 0.002 Å
• c: 18.301 ± 0.002 Å
• α: 90°
• β: 105.082 ± 0.01°
• γ: 90°
• Cell volume: 3849.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No