Information card for entry 4345565

Structure parameters

• Formula: C38.5 H34 N1.5 O7 P4 Ti0.5
• Calculated formula: C38.5 H34 N1.5 O7 P4 Ti0.5
• Title of publication: Terminal Titanyl Complexes of Tri- and Tetrametaphosphate: Synthesis, Structures, and Reactivity with Hydrogen Peroxide.
• Authors of publication: Stauber, Julia M.; Cummins, Christopher C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 3022 - 3029
• a: 16.369 ± 0.0011 Å
• b: 16.3925 ± 0.0011 Å
• c: 17.2399 ± 0.0012 Å
• α: 92.979 ± 0.001°
• β: 112.545 ± 0.001°
• γ: 109.698 ± 0.001°
• Cell volume: 3934.1 ± 0.5 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: 0.0459
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No