Information card for entry 7036268

Structure parameters

• Formula: C19 H14 Cu2 Fe3 N4 O9 Te
• Calculated formula: C19 H14 Cu2 Fe3 N4 O9 Te
• SMILES: [Te]123[Cu]45678[Cu]9%10%11([Fe]%1224([Fe]1([Fe]359%12(C7=O)(C#[O])C%11=O)(C#[O])(C#[O])C#[O])(C%10=O)(C#[O])C6=O)=C1N(CCN2C=8N(C)C=C2)C=CN1C
• Title of publication: Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.
• Authors of publication: Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16675 - 16679
• a: 9.9886 ± 0.0001 Å
• b: 13.5547 ± 0.0002 Å
• c: 20.5089 ± 0.0003 Å
• α: 75.709 ± 0.001°
• β: 81.229 ± 0.001°
• γ: 77.556 ± 0.001°
• Cell volume: 2613.1 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No