Information card for entry 7206319

Structure parameters

• Formula: C3 H4 Br N3 O3 Pb
• Calculated formula: C3 H4 Br N3 O3 Pb
• Title of publication: Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology
• Authors of publication: Safarifard, Vahid; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4817
• a: 8.4799 ± 0.0014 Å
• b: 15.706 ± 0.003 Å
• c: 5.75 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 765.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No