Information card for entry 7234095

Structure parameters

• Formula: C41 H38 N2 O2 Pt
• Calculated formula: C41 H38 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: 10.545 ± 0.003 Å
• b: 13.434 ± 0.002 Å
• c: 25.06 ± 0.0019 Å
• α: 104.184 ± 0.012°
• β: 91.124 ± 0.011°
• γ: 90.253 ± 0.015°
• Cell volume: 3441 ± 1.1 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: 0.1509
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No