Information card for entry 7014169

Structure parameters

• Common name: [PtCl2{PPh2C6H3NCHiPr2}2TiCl2].4(C6D6)
• Formula: C78 H66 Cl4 D24 N2 P2 Pt Ti
• Calculated formula: C78 H90 Cl4 N2 P2 Pt Ti
• SMILES: [Pt]1(Cl)(Cl)[P](c2cc(N([Ti](Cl)(Cl)N(c3cc([P]1(c1ccccc1)c1ccccc1)ccc3)C(C(C)(C)C)C(C)(C)C)C(C(C)(C)C)C(C)(C)C)ccc2)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Early-late, mixed-metal compounds supported by amidophosphine ligands.
• Authors of publication: Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1960 - 1970
• a: 13.8106 ± 0.0006 Å
• b: 15.2893 ± 0.001 Å
• c: 19.26 ± 0.0013 Å
• α: 107.863 ± 0.002°
• β: 97.797 ± 0.004°
• γ: 103.977 ± 0.004°
• Cell volume: 3658 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No