Information card for entry 4346261

Structure parameters

• Formula: C13 H11 Cl N4 O Pd
• Calculated formula: C13 H11 Cl N4 O Pd
• SMILES: [Pd]12([n]3c(cccc3C=NN1C(=O)c1[n]2cccc1)C)Cl
• Title of publication: Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.
• Authors of publication: Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8436 - 8448
• a: 7.4335 ± 0.0004 Å
• b: 23.4463 ± 0.0011 Å
• c: 8.3659 ± 0.0004 Å
• α: 90°
• β: 117.983 ± 0.001°
• γ: 90°
• Cell volume: 1287.61 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No