Information card for entry 4345163

Structure parameters

• Formula: C32 H41 Cl2 I2 N5 Pd2
• Calculated formula: C32 H41 Cl2 I2 N5 Pd2
• SMILES: [Pd]123(=C4N(C=CN4c4c(cc(cc4C)C)C)Cc4[n+](nn(c14)c1c(cc(C)cc1C)C)C)[CH](C2)=[CH2]3.I[Pd]12(I)C[CH]1=[CH2]2.ClCCl
• 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: 21.6108 ± 0.0008 Å
• b: 13.2513 ± 0.0006 Å
• c: 26.3273 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7539.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No