Information card for entry 4505984

Structure parameters

• Formula: C62 H86 Cd2 F12 N14 O20 Si2
• Calculated formula: C62 H86 Cd2 F12 N14 O20 Si2
• SMILES: c1ccc2c[n]1[Cd]([F][Si](F)(F)(F)(F)F)([O]=CN(C)C)([O]=CN(C)C)([OH2])[n]1cc(N3C(=O)[C@@H]4C5[C@@H]6C(=O)N(c7ccc[n](c7)[Cd]([F][Si](F)(F)(F)(F)F)([n]7cc(N8C(=O)[C@H]9C%10[C@H]%11C(=O)N2C(=O)[C@H]%11C(C=C%10)[C@H]9C8=O)ccc7)([O]=CN(C)C)([O]=CN(C)C)[OH2])C(=O)[C@@H]6C(C=C5)[C@@H]4C3=O)ccc1.N(C=O)(C)C.O.O.N(C=O)(C)C.O.O
• Title of publication: Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand
• Authors of publication: Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2389
• a: 12.7105 ± 0.0002 Å
• b: 15.6823 ± 0.0002 Å
• c: 19.4729 ± 0.0003 Å
• α: 90°
• β: 101.276 ± 0.002°
• γ: 90°
• Cell volume: 3806.6 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No