Information card for entry 7205195

Structure parameters

• Formula: C14 H24 N6 O6
• Calculated formula: C14 H24 N6 O6
• SMILES: c1cc(ccn1)NC(=O)NCCNC(=O)Nc1ccncc1.O.O.O.O
• Title of publication: Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes
• Authors of publication: Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 215
• a: 7.2549 ± 0.0013 Å
• b: 7.7629 ± 0.0015 Å
• c: 9.1054 ± 0.0016 Å
• α: 98.095 ± 0.003°
• β: 99.515 ± 0.003°
• γ: 110.281 ± 0.003°
• Cell volume: 463.39 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No