Information card for entry 7234094

Structure parameters

• Formula: C40 H36 N2 O2 Pt
• Calculated formula: C40 H36 N2 O2 Pt
• Title of publication: Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics
• Authors of publication: Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1680 - 1693
• a: 12.079 ± 0.0015 Å
• b: 12.265 ± 0.001 Å
• c: 13.031 ± 0.0012 Å
• α: 71.096 ± 0.005°
• β: 89.24 ± 0.009°
• γ: 66.502 ± 0.008°
• Cell volume: 1659.9 ± 0.3 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No