Information card for entry 7036266

Structure parameters

• Formula: C19 H16 Cu2 Fe3 N4 O9 Te
• Calculated formula: C19 H16 Cu2 Fe3 N4 O9 Te
• SMILES: C(#[O])[Fe]123456C(=O)[Cu]784(C(=O)[Fe]49%1027(C(=O)[Cu]589(C1=O)(=C1N(C)C=CN1C)[Te]6%10[Fe]34(C#[O])(C#[O])C#[O])C#[O])=C1N(C)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: 32.1115 ± 0.0006 Å
• b: 8.6471 ± 0.0002 Å
• c: 21.364 ± 0.0005 Å
• α: 90°
• β: 116.247 ± 0.001°
• γ: 90°
• Cell volume: 5320.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No