Information card for entry 7010894

Structure parameters

• Formula: C20 H13 Br Fe S2
• Calculated formula: C20 H13 Br Fe S2
• SMILES: Brc1ccc(c2ccc(C#C[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[cH]4[cH]3[cH]8[cH]9[cH]%104)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: 5.8596 ± 0.0004 Å
• b: 27.3336 ± 0.0018 Å
• c: 10.7396 ± 0.0007 Å
• α: 90°
• β: 96.729 ± 0.001°
• γ: 90°
• Cell volume: 1708.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No