Information card for entry 7059644

Structure parameters

• Formula: C80 H156 N2 O32 Pd Si16
• Calculated formula: C80 H156 N2 O32 Pd Si16
• Title of publication: Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties
• Authors of publication: Piec, Kamila; Kostera, Sylwia; Jędrzkiewicz, Dawid; Ejfler, Jolanta; John, Łukasz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 10786 - 10795
• a: 9.91 ± 0.003 Å
• b: 10.779 ± 0.004 Å
• c: 26.361 ± 0.009 Å
• α: 89.83 ± 0.04°
• β: 81.99 ± 0.03°
• γ: 88.94 ± 0.04°
• Cell volume: 2787.9 ± 1.7 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: 0.1026
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No