Information card for entry 7120516

Structure parameters

• Formula: C18 H20 N2 Na2 O14 S2
• Calculated formula: C18 H20 N2 Na2 O14 S2
• SMILES: C(CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(CCS(=O)(=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].O.[Na+].O.O.O
• Title of publication: Lone pair-π interaction-induced generation of photochromic coordination networks with photoswitchable conductance
• Authors of publication: Liao, Jian-Zhen; Chang, Jian-Fei; Meng, Lingyi; Zhang, Hai-Long; Wang, Sa-Sa; Lu, Can-Zhong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 6.8364 ± 0.0002 Å
• b: 11.9343 ± 0.0004 Å
• c: 27.7283 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2262.29 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No