Information card for entry 7240068

Structure parameters

• Formula: C12 H10 N4 O4 Pt
• Calculated formula: C12 H10 N4 O4 Pt
• Title of publication: Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
• Authors of publication: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 6677 - 6689
• a: 9.7525 ± 0.0003 Å
• b: 20.6661 ± 0.0006 Å
• c: 6.358 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1281.43 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for all reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No