Information card for entry 7705591

Structure parameters

• Formula: C34 H30 Ag Cl3 F0 N8 Ni O S
• Calculated formula: C34 H30 Ag Cl3 N8 Ni O S
• 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: 28.136 ± 0.002 Å
• b: 17.1992 ± 0.0013 Å
• c: 7.4871 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3623.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No