Information card for entry 4348368

Structure parameters

• Formula: C66 H74 Gd2 N20 O47
• Calculated formula: C66 H68 Gd2 N20 O47
• Title of publication: Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer
• Authors of publication: Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 395
• a: 13.103 ± 0.004 Å
• b: 30.424 ± 0.006 Å
• c: 23.434 ± 0.005 Å
• α: 90°
• β: 101.392 ± 0.005°
• γ: 90°
• Cell volume: 9158 ± 4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No