Information card for entry 4349800

Structure parameters

• Formula: C30 H30 Cd N2 O20
• Calculated formula: C30 H30 Cd N2 O20
• SMILES: [Cd](OC1=C(O)C(=O)C1=O)(OC1=C(O)C(=O)C1=O)([OH2])([OH2])([OH2])[OH2].[n+]1(ccc(cc1)c1cc[n+](cc1)CC)CC.O=C1C(=O)C(O)=C1[O-].O=C1C(=O)C(O)=C1[O-]
• Title of publication: Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens
• Authors of publication: Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 189
• a: 6.3956 ± 0.0006 Å
• b: 19.0514 ± 0.0018 Å
• c: 27.414 ± 0.002 Å
• α: 90°
• β: 100.31 ± 0.002°
• γ: 90°
• Cell volume: 3286.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No