Information card for entry 7032936

Structure parameters

• Formula: C26 H22 Cl2 N P Pd S
• Calculated formula: C26 H22 Cl2 N P Pd S
• SMILES: c12cccc3c1[S](c1ccccc1N3CC)[Pd](Cl)(Cl)[P]2(c1ccccc1)c1ccccc1
• Title of publication: Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.
• Authors of publication: Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 615 - 629
• a: 10.8921 ± 0.0007 Å
• b: 19.5111 ± 0.0012 Å
• c: 11.2482 ± 0.0007 Å
• α: 90°
• β: 97.91 ± 0.001°
• γ: 90°
• Cell volume: 2367.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No