Information card for entry 7002915

Structure parameters

• Common name: (Nd(4MeDBP)3(H-TMG)) (5)
• Formula: C50 H82 N3 Nd O3
• Calculated formula: C50 H82 N3 Nd O3
• SMILES: [Nd]([NH]=C(N(C)C)N(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• 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: 15.5703 ± 0.0011 Å
• b: 16.6702 ± 0.0012 Å
• c: 19.634 ± 0.0014 Å
• α: 77.44 ± 0.001°
• β: 86.895 ± 0.001°
• γ: 81.859 ± 0.001°
• Cell volume: 4922.7 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No