Information card for entry 7124773

Structure parameters

• Formula: C44 H28 Br4 N8 O12 Pb4 Pd
• Calculated formula: C44 H28 Br4 N8 O12 Pb4 Pd
• Title of publication: A N-heterocyclic tetracarbene Pd(ii) moiety containing a Pd(ii)-Pb(ii) bimetallic MOF for three-component cyclotrimerization via benzyne.
• Authors of publication: Dong, Ying; Li, Yue; Wei, Yong-Liang; Wang, Jian-Cheng; Ma, Jian-Ping; Ji, Jun; Yao, Bing-Jian; Dong, Yu-Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 69
• Pages of publication: 10505 - 10508
• a: 7.634 ± 0.005 Å
• b: 13.084 ± 0.008 Å
• c: 14.166 ± 0.01 Å
• α: 105.216 ± 0.013°
• β: 105.376 ± 0.009°
• γ: 94.884 ± 0.009°
• Cell volume: 1298.1 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No