Information card for entry 7158564

Structure parameters

• Formula: C33 H33 I2 N5 O4 Pt
• Calculated formula: C33 H33 I2 N5 O4 Pt
• Title of publication: β-Lactam and Penicillin Substituted Mesoionic Metal Carbene Complexes
• Authors of publication: Sierra, Miguel A.; Avello, Marta G.; Moreno-Latorre, María; de la Torre, Maria C.; Casarrubios, Luis; Hemmert, Catherine; GORNITZKA, Heinz
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 12.5954 ± 0.0005 Å
• b: 20.4792 ± 0.0008 Å
• c: 21.2634 ± 0.0009 Å
• α: 91.735 ± 0.002°
• β: 106.457 ± 0.002°
• γ: 94.822 ± 0.002°
• Cell volume: 5233 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No