Information card for entry 7002911

Structure parameters

• Common name: (Nd(OEt)(4MeDBP)2(H-TMG)2) (1)
• Formula: C42 H77 N6 Nd O3
• Calculated formula: C42 H77 N6 Nd O3
• SMILES: [Nd]([NH]=C(N(C)C)N(C)C)([NH]=C(N(C)C)N(C)C)(Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C)(Oc1c(cc(C)cc1C(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: 17.027 ± 0.005 Å
• b: 15.239 ± 0.004 Å
• c: 19.483 ± 0.006 Å
• α: 90°
• β: 111.427 ± 0.004°
• γ: 90°
• Cell volume: 4706 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0203
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No