Information card for entry 7206456

Structure parameters

• Formula: C37 H43 N3 O2 Pd
• Calculated formula: C37 H43 N3 O2 Pd
• SMILES: [Pd]12([N](=Cc3ccc(OCCCCCC)cc3O1)c1ccc(cc1)CCCCCC)[N](=Nc1c2cccc1)c1ccccc1
• Title of publication: Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes
• Authors of publication: Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 35
• Pages of publication: 13434
• a: 12.992 ± 0.003 Å
• b: 13.924 ± 0.003 Å
• c: 18.886 ± 0.004 Å
• α: 95.33 ± 0.03°
• β: 91.63 ± 0.03°
• γ: 92.2 ± 0.03°
• Cell volume: 3397.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No