Information card for entry 7220697

Structure parameters

• Common name: Cd pyim2 PF6
• Formula: C34 H46 Cd F12 N14 O4 P2
• Calculated formula: C34 H46 Cd F12 N14 O4 P2
• Title of publication: Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers
• Authors of publication: Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8876
• a: 11.5527 ± 0.0012 Å
• b: 26.816 ± 0.003 Å
• c: 15.4979 ± 0.0016 Å
• α: 90°
• β: 109.134 ± 0.002°
• γ: 90°
• Cell volume: 4536 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No