Information card for entry 7010893

Structure parameters

• Formula: C32 H22 Fe2 S2
• Calculated formula: C32 H22 Fe2 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C#Cc1sc(cc1)c1sc(C#C[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)cc1
• 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: 5.9211 ± 0.0004 Å
• b: 18.6015 ± 0.0013 Å
• c: 11.2551 ± 0.0008 Å
• α: 90°
• β: 101.799 ± 0.001°
• γ: 90°
• Cell volume: 1213.46 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No