Information card for entry 7041049

Structure parameters

• Formula: C47 H36 Cl8 N4 P2 Pd
• Calculated formula: C47 H36 Cl8 N4 P2 Pd
• SMILES: C(Cl)(Cl)Cl.Cl[Pd]1([P](N([P]1(c1ccccc1)c1ccccc1)c1ccc(c2cc(c3ccccn3)nc(c3ccccn3)c2)cc1)(c1ccccc1)c1ccccc1)Cl.C(Cl)(Cl)Cl
• Title of publication: A hybrid terpyridine-based bis(diphenylphosphino)amine ligand, terpy-C6H4N(PPh2)2: synthesis, coordination chemistry and photoluminescence studies.
• Authors of publication: Naik, Susmita; Kumar, Saurabh; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18434 - 18437
• a: 14.8261 ± 0.0011 Å
• b: 18.0649 ± 0.001 Å
• c: 18.2676 ± 0.0014 Å
• α: 90°
• β: 99.056 ± 0.007°
• γ: 90°
• Cell volume: 4831.7 ± 0.6 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: 0.0747
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No