Information card for entry 4305689

Structure parameters

• Formula: C93 H118 Cl2 O36 P8 Ti4
• Calculated formula: C93 H94 Cl2 O36 P8 Ti4
• Title of publication: Organic-Soluble Tri-, Tetra-, and Pentanuclear Titanium(IV) Phosphates
• Authors of publication: Ramaswamy Murugavel; Subramaniam Kuppuswamy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7686 - 7694
• a: 13.9814 ± 0.0002 Å
• b: 19.0606 ± 0.0003 Å
• c: 20.092 ± 0.0004 Å
• α: 90°
• β: 96.544 ± 0.002°
• γ: 90°
• Cell volume: 5319.51 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1418
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No