Information card for entry 7019160

Structure parameters

• Formula: C17 H42 Cl N3 P2 Pd
• Calculated formula: C17 H42 Cl N3 P2 Pd
• SMILES: [Pd]12([P](NCC[NH]2CCN[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C.[Cl-]
• Title of publication: Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6791 - 6802
• a: 21.04 ± 0.003 Å
• b: 8.6683 ± 0.0009 Å
• c: 27.228 ± 0.003 Å
• α: 90°
• β: 104.473 ± 0.009°
• γ: 90°
• Cell volume: 4808.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No