Information card for entry 4317329

Structure parameters

• Formula: C36 H90 Cl2 Ni2 O18 Ti4
• Calculated formula: C36 H90 Cl2 Ni2 O18 Ti4
• Title of publication: Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages
• Authors of publication: Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11532 - 11540
• a: 15.1091 ± 0.0004 Å
• b: 23.5591 ± 0.0009 Å
• c: 16.4439 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5853.3 ± 0.3 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No