Information card for entry 7200542

Structure parameters

• Formula: C42 H42 Cu3 Mo12 N12 O40 P
• Calculated formula: C42 H42 Cu3 Mo12 N12 O40 P
• 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: 11.0336 ± 0.0015 Å
• b: 12.6711 ± 0.0017 Å
• c: 13.1776 ± 0.0018 Å
• α: 104.684 ± 0.002°
• β: 97.188 ± 0.002°
• γ: 100.502 ± 0.002°
• Cell volume: 1723.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No