Information card for entry 7016342

Structure parameters

• Formula: C44 H50 Cl N P2 Pd
• Calculated formula: C44 H50 Cl N P2 Pd
• SMILES: [Pd]12(Cl)[P](c3c(N2c2ccc(C)cc2[P]1(C1CCCCC1)C1CCCCC1)ccc(C)c3)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.
• Authors of publication: Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8950 - 8958
• a: 11.3446 ± 0.0003 Å
• b: 11.7317 ± 0.0003 Å
• c: 15.4507 ± 0.0004 Å
• α: 93.647 ± 0.001°
• β: 109.95 ± 0.001°
• γ: 93.142 ± 0.001°
• Cell volume: 1922.61 ± 0.09 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No