Information card for entry 7040240

Structure parameters

• Formula: C39 H31 N4 O P Pd S2 Sn
• Calculated formula: C39 H31 N4 O P Pd S2 Sn
• SMILES: [Sn]1234([Pd](Sc5[n]2cccc5)(Sc2[n]1cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)n1cccc1C=[N]3c1ccccc1O4
• Title of publication: Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.
• Authors of publication: Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14252 - 14264
• a: 13.2982 ± 0.0003 Å
• b: 16.9219 ± 0.0004 Å
• c: 32.2817 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7264.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No