Information card for entry 7040242

Structure parameters

• Formula: C40 H34 Cl2 N5 O2 P Pd S2 Sn
• Calculated formula: C40 H34 Cl2 N5 O2 P Pd S2 Sn
• SMILES: [Pd]12([Sn]34(Oc5c(N4C(=O)c4[n]3ccn4C)cccc5)([n]3c(S1)cccc3)[n]1c(S2)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 11.5645 ± 0.0004 Å
• b: 12.0423 ± 0.0004 Å
• c: 15.0296 ± 0.0004 Å
• α: 80.499 ± 0.003°
• β: 73.274 ± 0.002°
• γ: 84.786 ± 0.003°
• Cell volume: 1974.93 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No