Information card for entry 7032935

Structure parameters

• Formula: C50 H40 Cl2 N2 P2 Pd S2
• Calculated formula: C50 H40 Cl2 N2 P2 Pd S2
• SMILES: c1(cc2c(cc1)N(c1c(cccc1)S2)C)[P]([Pd]([P](c1cc2c(cc1)N(c1c(cccc1)S2)C)(c1ccccc1)c1ccccc1)(Cl)Cl)(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: 8.4526 ± 0.0011 Å
• b: 10.4377 ± 0.0014 Å
• c: 12.96 ± 0.0017 Å
• α: 97.823 ± 0.002°
• β: 97.519 ± 0.002°
• γ: 97.248 ± 0.002°
• Cell volume: 1110.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No