Information card for entry 4086255

Structure parameters

• Formula: C34 H36 Cl2 I2 N6 O2 Pd2
• Calculated formula: C34 H36 Cl2 I2 N6 O2 Pd2
• SMILES: c1(c(n(Cc2ccc(cc2)Cl)n[n+]1C)[Pd]12(C[CH]1=[CH2]2)I)COc1ccccc1OCc1c(n(Cc2ccc(cc2)Cl)n[n+]1C)[Pd]12(I)C[CH]1=[CH2]2
• Title of publication: Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes
• Authors of publication: Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4529
• a: 26.4911 ± 0.0018 Å
• b: 7.552 ± 0.0003 Å
• c: 21.859 ± 0.0015 Å
• α: 90°
• β: 112.428 ± 0.008°
• γ: 90°
• Cell volume: 4042.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No