Information card for entry 4081133

Structure parameters

• Formula: C38 H30 Cl4 N6 O4 Pd2
• Calculated formula: C38 H30 Cl4 N6 O4 Pd2
• SMILES: C1(C)=[O][Pd]23(c4ccccc4c4cc5cccnc5n5c4[n]2cc5)OC(C)=[O][Pd]23(O1)[n]1c3n(c4ncccc4cc3c3c2cccc3)cc1.ClCCl.C(Cl)Cl
• Title of publication: Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework
• Authors of publication: Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4306
• a: 13.456 ± 0.002 Å
• b: 20.339 ± 0.002 Å
• c: 13.4006 ± 0.0018 Å
• α: 90°
• β: 99.64 ± 0.003°
• γ: 90°
• Cell volume: 3615.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No