Information card for entry 7008110

Structure parameters

• Formula: C19 H21 Cl2 N2 P Ti
• Calculated formula: C19 H21 Cl2 N2 P Ti
• SMILES: [Ti]12345(Cl)(Cl)(N(P(c6ccccc6)c6ccccc6)[N]1(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 680 - 693
• a: 9.3008 ± 0.0002 Å
• b: 9.5959 ± 0.0002 Å
• c: 12.3168 ± 0.0002 Å
• α: 67.4001 ± 0.0007°
• β: 77.4316 ± 0.0007°
• γ: 87.2789 ± 0.0008°
• Cell volume: 989.74 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0432
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No