Information card for entry 4310636

Structure parameters

• Formula: C50 H86 Ba F14 N3 O2 P Ti4
• Calculated formula: C50 H86 Ba F14 N3 O2 P Ti4
• Title of publication: Syntheses, solid state and solution structures of [Ba{(C~5~Me~5~)~2~Ti~2~F~7~}~2~(HMPA)] and [Ba~8~Ti~6~F~30~I~2~(C~5~Me~5~)~6~(HMPA)~6~][I~3~]~2~
• Authors of publication: Andrej Pevec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1250 - 1256
• a: 25.4497 ± 0.0003 Å
• b: 11.1503 ± 0.0002 Å
• c: 22.6957 ± 0.0003 Å
• α: 90°
• β: 110.962 ± 0.001°
• γ: 90°
• Cell volume: 6014.16 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No