Information card for entry 7010897

Structure parameters

• Formula: C68 H80 Fe2 P2 Pt S4
• Calculated formula: C68 H80 Fe2 P2 Pt S4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C#Cc1ccc(c2ccc(C#C[Pt](C#Cc3ccc(c4ccc(C#C[c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[cH]6[cH]%12[cH]%11[cH]%10[cH]56)s4)s3)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC)s2)s1
• Title of publication: Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene
• Authors of publication: Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3250
• a: 10.2709 ± 0.0014 Å
• b: 11.1981 ± 0.0015 Å
• c: 14.226 ± 0.002 Å
• α: 95.844 ± 0.003°
• β: 101.305 ± 0.002°
• γ: 93.949 ± 0.003°
• Cell volume: 1589.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No