Information card for entry 4077690

Structure parameters

• Formula: C28 H34 Hg N O5 P Pd S2
• Calculated formula: C28 H32 Hg N O5 P Pd S2
• SMILES: [Pd]1([S]=C(S1)N(C)C)([P](c1ccccc1C)(c1ccccc1C)c1ccccc1C[Hg]1OC(=O)C)OC(=[O]1)C.O
• Title of publication: Reactivity of [M(C∧P)(S2CNMe2)] [M = Pt, Pd; C∧P = CH2−C6H4−P(o-tolyl)2-κC,P] toward Mercury(II) Carboxylates. X-ray Molecular Structures of [Pt(C∧P)(S2CNMe2)(O2CCF3)Hg(O2CCF3)] and [Pd(S2CNMe2){μ-P(o-tolyl)2−C6H4−CH2−}(μ-O2CCH3)Hg(O2CCH3)]
• Authors of publication: Forniés, Juan; Martín, Antonio; Sicilia, Violeta; Villarroya, Pablo
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1107
• a: 8.012 ± 0.001 Å
• b: 35.069 ± 0.005 Å
• c: 11.355 ± 0.001 Å
• α: 90°
• β: 101.31 ± 0.01°
• γ: 90°
• Cell volume: 3128.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No