Information card for entry 4315118

Structure parameters

• Formula: C106 H148 N4 P4 Pt2 Zn
• Calculated formula: C106 H148 N4 P4 Pt2 Zn
• SMILES: c1(ccccc1)C#C[Pt]([P](CCCC)(CCCC)CCCC)(C#CC1=c2n3c(=C(c4[n]5c(=C(C#C[Pt](C#Cc6ccccc6)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC)c6n7c(C(=c8[n](c1cc8)[Zn]357)c1c(cc(cc1C)C)C)cc6)cc4)c1c(cc(cc1C)C)C)cc2)[P](CCCC)(CCCC)CCCC
• Title of publication: Syntheses, Characterization, and Photophysical Properties of Conjugated Organometallic Pt-Acetylide/Zn(II) Porphyrin-Containing Oligomers
• Authors of publication: Feng-Lei Jiang; Daniel Fortin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2614 - 2623
• a: 12.095 ± 0.009 Å
• b: 14.668 ± 0.017 Å
• c: 16.115 ± 0.015 Å
• α: 114.55 ± 0.08°
• β: 99.38 ± 0.07°
• γ: 92.95 ± 0.09°
• Cell volume: 2543 ± 5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.2755
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No