Information card for entry 7056645

Structure parameters

• Formula: C42 H44 F12 N8 P2 Pd
• Calculated formula: C42 H44 F12 N8 P2 Pd
• SMILES: C12N3c4c(cccc4)N1CCCCN1C4N(c5c1cccc5)CCCN1C5N(c6c1cccc6)CCCCN1C(N(c6c1cccc6)CCC3)=[Pd]=2=4=5.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
• Authors of publication: Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13442 - 13453
• a: 11.4236 ± 0.0019 Å
• b: 13.822 ± 0.002 Å
• c: 15.218 ± 0.002 Å
• α: 90.046 ± 0.004°
• β: 96.534 ± 0.004°
• γ: 102.324 ± 0.004°
• Cell volume: 2331.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2014
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No