Information card for entry 7036071

Structure parameters

• Formula: C48 H32 N6 Nd2 O14 S3
• Calculated formula: C48 H28 N6 Nd2 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: 11.305 ± 0.002 Å
• b: 14.497 ± 0.003 Å
• c: 16.41 ± 0.003 Å
• α: 70.12 ± 0.03°
• β: 89.32 ± 0.04°
• γ: 73.8 ± 0.03°
• Cell volume: 2418.4 ± 1 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: 0.0507
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No