Information card for entry 7036269

Structure parameters

• Formula: C20 H16 Cu2 Fe3 N4 O9 Te
• Calculated formula: C20 H16 Cu2 Fe3 N4 O9 Te
• SMILES: C1(=O)[Fe]23456(C(=O)[Cu]7895C(=O)[Fe]5%10%1138(C#[O])C(=O)[Cu]149%10(=C1N(C)C=CN1CCCN1C=CN(C)C=71)[Te]6%11[Fe]25(C#[O])(C#[O])C#[O])C#[O]
• 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: 10.1041 ± 0.0004 Å
• b: 13.6572 ± 0.0005 Å
• c: 20.2351 ± 0.0008 Å
• α: 76.356 ± 0.002°
• β: 82.953 ± 0.002°
• γ: 79.062 ± 0.002°
• Cell volume: 2655.32 ± 0.18 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: 0.0356
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No