Information card for entry 7022318

Structure parameters

• Formula: C42 H82 Ca2 N8 O2 Si4
• Calculated formula: C42 H82 Ca2 N8 O2 Si4
• SMILES: [Ca]1([O]2CCCC2)(N([Si](C)(C)C)[Si](C)(C)C)[N](c2ccccc2)=C(N2CCN(C)C)C(N1CCN(C)C)=[N](c1ccccc1)[Ca]2(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: Calcium complexes containing oxalamidinate ligands as catalysts for ε-caprolactone polymerization.
• Authors of publication: Huang, Tzu-Lun; Chen, Chi-Tien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9255 - 9262
• a: 15.3218 ± 0.0002 Å
• b: 15.5131 ± 0.0002 Å
• c: 23.0555 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5480.03 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No