Information card for entry 4345162

Structure parameters

• Formula: C25 H31 Cu2 I4 N5
• Calculated formula: C25 H31 Cu2 I4 N5
• SMILES: I[Cu]12[I][Cu]2(I)[I]1.n1(Cc2[n+](nn(c2)c2c(cc(cc2C)C)C)C)cc[n+](c2c(cc(cc2C)C)C)c1
• Title of publication: Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.
• Authors of publication: Mendoza-Espinosa, Daniel; Alvarez-Hernández, Alejandro; Angeles-Beltrán, Deyanira; Negrón-Silva, Guillermo E; Suárez-Castillo, Oscar R; Vásquez-Pérez, José M
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2092 - 2099
• a: 12.417 ± 0.0005 Å
• b: 16.4991 ± 0.0006 Å
• c: 16.1653 ± 0.0007 Å
• α: 90°
• β: 95.651 ± 0.004°
• γ: 90°
• Cell volume: 3295.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No