Information card for entry 7036267

Structure parameters

• Formula: C18 H12 Cu2 Fe3 N4 O9 Te
• Calculated formula: C18 H12 Cu2 Fe3 N4 O9 Te
• SMILES: C1(=O)[Cu]2345[C]6(=O)[Fe]7893(C#[O])(C#[O])[Cu]346(C(=O)[Fe]483(C#[O])(C#[O])[Fe]157(C#[O])(C#[O])[Te]94)=C1N(C)C=CN1CN1C=CN(C)C=21
• 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: 16.6462 ± 0.0005 Å
• b: 16.1627 ± 0.0005 Å
• c: 9.3673 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2520.25 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No