Information card for entry 7705592

Structure parameters

• Formula: C36 H30 F6 N8 O7 Pd S3
• Calculated formula: C36 H30 F6 N8 O7 Pd S3
• Title of publication: Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.
• Authors of publication: Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 14106 - 14114
• a: 17.3811 ± 0.0014 Å
• b: 14.485 ± 0.0012 Å
• c: 16.7476 ± 0.0013 Å
• α: 90°
• β: 116.674 ± 0.003°
• γ: 90°
• Cell volume: 3767.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No