Information card for entry 7008711

Structure parameters

• Formula: C44 H68 N4 O2 Si4 Th
• Calculated formula: C44 H68 N4 O2 Si4 Th
• SMILES: [Th]1234(N(c5c(cc(cc5C)C)C)[Si]([O]1[Si](N2c1c(cc(cc1C)C)C)(C)C)(C)C)N(c1c(cc(cc1C)C)C)[Si]([O]4[Si](N3c1c(cc(cc1C)C)C)(C)C)(C)C
• Title of publication: Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide "ate" complexes and their conversion to salt-free bis(alkyl) complexes.
• Authors of publication: Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3083 - 3091
• a: 11.019 ± 0.0001 Å
• b: 20.309 ± 0.0002 Å
• c: 21.647 ± 0.0003 Å
• α: 90°
• β: 98.425 ± 0.0004°
• γ: 90°
• Cell volume: 4791.99 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No