Information card for entry 7041048

Structure parameters

• Formula: C73 H59 Cl16 N4 P3 Ru
• Calculated formula: C73 H59 Cl16 N4 P3 Ru
• SMILES: [Ru]12345([P](N([P]1(c1ccccc1)c1ccccc1)c1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.ClC(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: 10.247 ± 0.003 Å
• b: 13.871 ± 0.004 Å
• c: 27.16 ± 0.008 Å
• α: 96.116 ± 0.004°
• β: 101.187 ± 0.004°
• γ: 92.193 ± 0.004°
• Cell volume: 3758.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No