Information card for entry 7117594

Structure parameters

• Chemical name: compound 1
• Formula: C50 H62 Cl4 Cu2 N8 O21 S5
• Calculated formula: C50 H62 Cl4 Cu2 N8 O21 S5
• Title of publication: Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.
• Authors of publication: Rancan, Marzio; Armelao, Lidia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 12947 - 12949
• a: 18.0973 ± 0.0002 Å
• b: 28.4369 ± 0.0004 Å
• c: 28.5016 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14667.8 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.3251
• Weighted residual factors for all reflections included in the refinement: 0.3447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No