Information card for entry 4324399

Structure parameters

• Chemical name: Bis(3,4,5-trimethoxyphenylethynyl)-(1,1'-dipentyl-3,3'-methylene-diimidazoline-2,2'-diylidene)-platinum(II) dichloromethane solvate
• Formula: C40 H52 Cl2 N4 O6 Pt
• Calculated formula: C40 H52 Cl2 N4 O6 Pt
• SMILES: C12N(C=CN1CN1C(N(C=C1)CCCCC)=[Pt]=2(C#Cc1cc(c(c(c1)OC)OC)OC)C#Cc1cc(c(c(c1)OC)OC)OC)CCCCC.ClCCl
• Title of publication: Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes
• Authors of publication: Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1220 - 1228
• a: 14.7205 ± 0.0002 Å
• b: 20.6676 ± 0.0002 Å
• c: 15.2338 ± 0.0002 Å
• α: 90°
• β: 117.138 ± 0.001°
• γ: 90°
• Cell volume: 4124.46 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No