Information card for entry 7235209

Structure parameters

• Formula: C16 H14 F3 I3 O4 Pd
• Calculated formula: C16 H14 F3 I3 O4 Pd
• Title of publication: Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex
• Authors of publication: Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 554 - 563
• a: 4.3401 ± 0.0001 Å
• b: 16.4262 ± 0.0005 Å
• c: 30.145 ± 0.0011 Å
• α: 90°
• β: 93.037 ± 0.003°
• γ: 90°
• Cell volume: 2146.06 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No