Information card for entry 4505497

Structure parameters

• Formula: C48 H32 Cl3 Cu12 N40 O40 P W12
• Calculated formula: C48 H32 Cl3 Cu12 N40 O40 P W12
• Title of publication: Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates
• Authors of publication: Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1273
• a: 24.001 ± 0.0012 Å
• b: 17.455 ± 0.0018 Å
• c: 11.676 ± 0.003 Å
• α: 90 ± 0.0013°
• β: 105.096 ± 0.0014°
• γ: 90 ± 0.0013°
• Cell volume: 4722.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No