Information card for entry 4500970

Structure parameters

• Formula: C66 H60 Ho2 N14 O20 S4
• Calculated formula: C66 H60 Ho2 N14 O20 S4
• SMILES: c1ccccc1C(=O)NC(=S)NCC1=[O][Ho]23456([n]7cccc8c7c7[n]2cccc7cc8)([O]=C(O[Ho]278([n]9cccc%10c9c9[n]2cccc9cc%10)([O]14)([O]5C(CNC(=S)NC(=O)c1ccccc1)=[O]7)([O]=C(O6)CNC(=S)NC(=O)c1ccccc1)[O]=N(=O)O8)CNC(=S)NC(=O)c1ccccc1)[O]=N(=O)O3.CO.CO
• Title of publication: Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates
• Authors of publication: Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5241
• a: 10.865 ± 0.002 Å
• b: 13.541 ± 0.003 Å
• c: 14.535 ± 0.003 Å
• α: 63.62 ± 0.03°
• β: 86.44 ± 0.03°
• γ: 70.7 ± 0.03°
• Cell volume: 1799 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No