Information card for entry 7027008

Structure parameters

• Formula: C63 H59 Cl2 Fe N O3 P4 Pd2 S
• Calculated formula: C63 H59 Cl2 Fe N O3 P4 Pd2 S
• SMILES: [Pd]12(Cl)[P](C[P]([Pd](Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N2S(=O)(=O)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Arylsulfonylnitrene and arenesulfonyl azide complexes of palladium
• Authors of publication: Foch, Isabella; Párkányi, László; Besenyei, Gábor; Simándi, László I.; Kálmán, Alajos
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 293
• a: 12.414 ± 0.002 Å
• b: 22.267 ± 0.002 Å
• c: 44.002 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12163 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No