Information card for entry 4512671

Structure parameters

• Formula: C37 H29 N3 O2 Pd
• Calculated formula: C37 H29 N3 O2 Pd
• SMILES: [Pd]12(c3c(c4[n]1cccc4)cccc3)[N](=Cc1c(O2)ccc(OC)c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.
• Authors of publication: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4019 - 4028
• a: 28.39 ± 0.002 Å
• b: 6.4428 ± 0.0005 Å
• c: 16.4436 ± 0.0013 Å
• α: 90°
• β: 90.821 ± 0.003°
• γ: 90°
• Cell volume: 3007.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No