Information card for entry 7052743

Structure parameters

• Formula: C19 H52 Ca N6 Si4
• Calculated formula: C19 H52 Ca N6 Si4
• SMILES: [Si]1([N]23[Ca]45(N([SiH](C)C)[SiH](C)C)([N](CC3)(CC[N]4(CC[N]5(CC2)C)C)C)N1[SiH](C)C)(C)C
• Title of publication: Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers
• Authors of publication: Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2253
• a: 19.245 ± 0.002 Å
• b: 10.3101 ± 0.001 Å
• c: 15.582 ± 0.003 Å
• α: 90°
• β: 106.38 ± 0.02°
• γ: 90°
• Cell volume: 2966.3 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No