Information card for entry 7027211

Structure parameters

• Chemical name: trans-bis(N-benzoyl-N'-propylthioureato)dibromopalladium(II)
• Formula: C22 H28 Br2 N4 O2 Pd S2
• Calculated formula: C22 H28 Br2 N4 O2 Pd S2
• SMILES: Br[Pd]([S]=C(NC(=O)c1ccccc1)NCCC)([S]=C(NC(=O)c1ccccc1)NCCC)Br
• Title of publication: Platinum(II) and palladium(II) complexes of N-benzoyl-N ′-propylthiourea (H2L): synthesis and geometric isomer distribution of [M(H2L-S )2X2] (M = PtII or PdII; X = Cl−, Br− or I−); crystal structure of trans-[Pd(H2L-S )2Br2]
• Authors of publication: Koch, Klaus R.; Wang, Yali; Coetzee, Anita
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 1013
• a: 8.7678 ± 0.001 Å
• b: 8.9525 ± 0.0009 Å
• c: 9.8668 ± 0.0008 Å
• α: 104.034 ± 0.008°
• β: 113.016 ± 0.008°
• γ: 99.226 ± 0.009°
• Cell volume: 662.72 ± 0.13 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: 0.0306
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No