Information card for entry 4309424

Structure parameters

• Formula: C23 H21 Cl N4 O3 Pd
• Calculated formula: C23 H21 Cl N4 O3 Pd
• SMILES: [Pd]12(Cl)Oc3c(C[N]2(Cc2[n]1cccc2)CCc1c[nH]c2ccccc12)cc(N(=O)=O)cc3
• Title of publication: Cyclopalladation of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands and Its Dependence on the O-Donor Properties
• Authors of publication: Yuichi Shimazaki; Minoru Tashiro; Takeshi Motoyama; Satoshi Iwatsuki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6044 - 6051
• a: 21.143 ± 0.01 Å
• b: 14.237 ± 0.01 Å
• c: 17.331 ± 0.009 Å
• α: 90°
• β: 99.18 ± 0.03°
• γ: 90°
• Cell volume: 5150 ± 5 ų
• Cell temperature: 133.2 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 significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No