Information card for entry 4515025

Structure parameters

• Formula: C6 H18 Cl2 O2 Pd2 S2
• Calculated formula: C6 H18 Cl2 O2 Pd2 S2
• SMILES: C[Pd]1([S](C)(C)=O)[Cl][Pd](C)([S](C)(C)=O)[Cl]1
• Title of publication: Neutral Imino-Methyl Benzenesulfonate-Ligated Pd(II) Complexes and Implications in Ethylene Polymerization.
• Authors of publication: Deshmukh, Satej S.; Gaikwad, Shahaji R.; Mote, Nilesh R.; M, Manod; Gonnade, Rajesh G.; Chikkali, Samir H.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 9502 - 9511
• a: 9.3164 ± 0.0002 Å
• b: 7.3274 ± 0.0002 Å
• c: 10.8064 ± 0.0003 Å
• α: 90°
• β: 111.175 ± 0.001°
• γ: 90°
• Cell volume: 687.89 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0161
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No