Information card for entry 7032933

Structure parameters

• Formula: C28 H26 Cl2 N2 Pd S2
• Calculated formula: C28 H26 Cl2 N2 Pd S2
• SMILES: c12c(N(c3c([S]2[Pd]([S]2c4c(cccc4)N(c4c2cccc4)CC)(Cl)Cl)cccc3)CC)cccc1
• 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: 9.9826 ± 0.0003 Å
• b: 15.5847 ± 0.0004 Å
• c: 8.2241 ± 0.0002 Å
• α: 90°
• β: 105.269 ± 0.003°
• γ: 90°
• Cell volume: 1234.31 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No