Information card for entry 4346188

Structure parameters

• Formula: C60 H60 B2 F4 N6 Pt
• Calculated formula: C60 H60 B2 F4 N6 Pt
• SMILES: [Pt]1([n]2ccc(C(C)(C)C)cc2c2[n]1ccc(c2)C(C)(C)C)(C#Cc1c(n2c(c1C)C(c1ccccc1)=c1[n](c(cc1C)C)[B]2(F)F)C)C#Cc1ccc(cc1)C1=c2[n](c(cc2C)C)[B](F)(F)n2c1c(C)cc2C
• Title of publication: Broad-Band N(∧)N Pt(II) Bisacetylide Visible Light Harvesting Complex with Heteroleptic Bodipy Acetylide Ligands.
• Authors of publication: Zhong, Fangfang; Karatay, Ahmet; Zhao, Liang; Zhao, Jianzhang; He, Cheng; Zhang, Caishun; Yaglioglu, Halime Gul; Elmali, Ayhan; Küçüköz, Betül; Hayvali, Mustafa
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7803 - 7817
• a: 11.503 ± 0.0003 Å
• b: 16.6531 ± 0.0004 Å
• c: 17.2268 ± 0.0004 Å
• α: 72.083 ± 0.001°
• β: 84.635 ± 0.002°
• γ: 84.876 ± 0.001°
• Cell volume: 3119.79 ± 0.13 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No