Information card for entry 7704515

Structure parameters

• Formula: C24 H19 Cl2 N3 O3 P6 Ti
• Calculated formula: C24 H19 Cl2 N3 O3 P6 Ti
• SMILES: [Ti]1234(Oc5ppc6n5cccc6)(Oc5ppc6n5cccc6)(Oc5ppc6n5cccc6)[cH]5[cH]1[cH]2[cH]3[cH]45.ClCCl
• Title of publication: 1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.
• Authors of publication: Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8201 - 8208
• a: 7.4263 ± 0.0003 Å
• b: 15.2635 ± 0.0008 Å
• c: 26.3095 ± 0.0015 Å
• α: 90°
• β: 92.364 ± 0.004°
• γ: 90°
• Cell volume: 2979.7 ± 0.3 ų
• Cell temperature: 104.6 ± 0.2 K
• Ambient diffraction temperature: 104.6 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No