Information card for entry 4122264

Structure parameters

• Formula: C37 H37 Cl Ge N2 O4
• Calculated formula: C37 H37 Cl Ge N2 O4
• SMILES: [Ge]123(Cl)[n]4c(ccc4=C(c4ccccc4)c4n3c(c3c(O1)c(cc(OC)c3)C(C)(C)C)cc4)c1c(O2)c(cc(OC)c1)C(C)(C)C
• Title of publication: Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.
• Authors of publication: Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10728 - 10735
• a: 13.941 ± 0.004 Å
• b: 14.762 ± 0.004 Å
• c: 30.916 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6362 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No