Information card for entry 7059498

Structure parameters

• Formula: C30 H51 Ca N3 O2 Si2
• Calculated formula: C30 H51 Ca N3 O2 Si2
• SMILES: [Ca]1([O](c2c(N1/C(=N\c1c(cccc1C)C)C(C)(C)C)cccc2)C)([O]1CCCC1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone
• Authors of publication: Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 7811 - 7822
• a: 9.0772 ± 0.0002 Å
• b: 9.1571 ± 0.0002 Å
• c: 20.5591 ± 0.0005 Å
• α: 87.995 ± 0.001°
• β: 78.093 ± 0.001°
• γ: 87.982 ± 0.001°
• Cell volume: 1670.41 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No