Information card for entry 7704510

Structure parameters

• Formula: C62 H88 Cl4 N6 Na2 O18 P12 Ti
• Calculated formula: C62 H88 Cl4 N6 Na2 O18 P12 Ti
• 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: 12.9086 ± 0.0007 Å
• b: 24.9553 ± 0.0013 Å
• c: 13.7959 ± 0.0007 Å
• α: 90°
• β: 108.117 ± 0.001°
• γ: 90°
• Cell volume: 4223.9 ± 0.4 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99.55 K
• Number of distinct elements: 8
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No