Information card for entry 7031787

Structure parameters

• Formula: C6 H24 Co F11 N6 Ti2
• Calculated formula: C6 H24 Co F11 N6 Ti2
• Title of publication: Charge transfer from cobaltammine complex cations to metal fluoride anions in molecular solids with novel photoelectronic effects (metal: zirconium, titanium).
• Authors of publication: Du, Yu; Yu, Jihong; Hong, Xueming; Li, Xuejin; Tian, Xiaoqing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14039 - 14044
• a: 7.9858 ± 0.0016 Å
• b: 8.3733 ± 0.0017 Å
• c: 14.325 ± 0.003 Å
• α: 93.98 ± 0.03°
• β: 96.26 ± 0.03°
• γ: 113.76 ± 0.03°
• Cell volume: 864.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No