Information card for entry 7036078

Structure parameters

• Formula: C48 H32 Er2 N6 O14 S3
• Calculated formula: C48 H28 Er2 N6 O14 S3
• Title of publication: Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.
• Authors of publication: Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15843 - 15854
• a: 11.2143 ± 0.0006 Å
• b: 14.1588 ± 0.0007 Å
• c: 16.135 ± 0.0008 Å
• α: 109.045 ± 0.009°
• β: 94.266 ± 0.008°
• γ: 99.948 ± 0.009°
• Cell volume: 2361.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No