Information card for entry 7002912

Structure parameters

• Common name: (La(OEt)(DBP)2(H-TMG)2) (2)
• Formula: C40 H73 La N6 O3
• Calculated formula: C40 H73 La N6 O3
• SMILES: [La]([NH]=C(N(C)C)N(C)C)([NH]=C(N(C)C)N(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)OCC
• Title of publication: 1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation
• Authors of publication: Janini, Thomas E.; Rakosi, III, Robert; Durr, Christopher B.; Bertke, Jeffrey A.; Bunge, Scott D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10601 - 10608
• a: 10.8947 ± 0.0019 Å
• b: 10.9333 ± 0.0019 Å
• c: 19.216 ± 0.003 Å
• α: 100.912 ± 0.003°
• β: 99.102 ± 0.003°
• γ: 92.317 ± 0.003°
• Cell volume: 2213.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No