Information card for entry 7009640

Structure parameters

• Formula: C25 H21 Cl N2 O P2 Pd S2
• Calculated formula: C25 H21 Cl N2 O P2 Pd S2
• SMILES: [Pd]12(Cl)[S]=P(NC(=O)N1P(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Remarkable S,N,S ' tridentate chelation to palladium(II) by the monoanion derived from [Ph2P(S)NH]2CO
• Authors of publication: Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1545
• a: 12.232 ± 0.0002 Å
• b: 18.5402 ± 0.0003 Å
• c: 24.4688 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5549.13 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No