Information card for entry 7220696

Structure parameters

• Formula: C22 H22 Cd N12 O8
• Calculated formula: C22 H22 Cd N12 O8
• 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: 8.6147 ± 0.0006 Å
• b: 16.5484 ± 0.0012 Å
• c: 9.3691 ± 0.0007 Å
• α: 90°
• β: 93.617 ± 0.001°
• γ: 90°
• Cell volume: 1332.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No