Information card for entry 7705796

Structure parameters

• Formula: C6 H16 F7 N9 O5 Ti Zn3
• Calculated formula: C6 H16 F7 N9 O5 Ti Zn3
• Title of publication: Topotactic desolvation and condensation reactions of 3D Zn₃TiF₇(H₂O)₂(taz)₃·S (S = 3H₂O or C₂H₅OH).
• Authors of publication: Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17758 - 17771
• a: 11.2025 ± 0.0002 Å
• b: 10.8541 ± 0.0002 Å
• c: 8.8565 ± 0.0002 Å
• α: 90°
• β: 115.758 ± 0.001°
• γ: 90°
• Cell volume: 969.89 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No