Information card for entry 7200541

Structure parameters

• Formula: C56 H56 Cu3 N16 O44 P W12
• Calculated formula: C56 H56 Cu3 N16 O44 P W12
• Title of publication: Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility
• Authors of publication: Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 902 - 908
• a: 13.264 ± 0.003 Å
• b: 13.611 ± 0.003 Å
• c: 14.666 ± 0.003 Å
• α: 109.4 ± 0.03°
• β: 116.56 ± 0.03°
• γ: 98.51 ± 0.03°
• Cell volume: 2091.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No