Information card for entry 7037447

Structure parameters

• Formula: C34 H42 Cl4 D12 N4 O2 P2 Pd2
• Calculated formula: C34 H54 Cl4 N4 O2 P2 Pd2
• SMILES: [Pd]1(Cl)(Cl)[P@]2(C(=Nc3c2[n]([Pd](Cl)(Cl)[P@]2(C(=Nc4c2[n]1ccc4)C(C)(C)C)CCCC)ccc3)C(C)(C)C)CCCC.O=C(C)C.O=C(C)C.[Pd]1(Cl)(Cl)[P@@]2(C(=Nc3c2[n]([Pd](Cl)(Cl)[P@@]2(C(=Nc4c2[n]1ccc4)C(C)(C)C)CCCC)ccc3)C(C)(C)C)CCCC.O=C(C)C.O=C(C)C
• Title of publication: 3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes.
• Authors of publication: Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2261 - 2272
• a: 11.9584 ± 0.0004 Å
• b: 29.4872 ± 0.0008 Å
• c: 13.0738 ± 0.0004 Å
• α: 90°
• β: 115.816 ± 0.005°
• γ: 90°
• Cell volume: 4150 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No