Information card for entry 7208749

Structure parameters

• Formula: C36 H36 Cu3 Mo12 N18 O40 P
• Calculated formula: C36 H36 Cu3 Mo12 N18 O40 P
• Title of publication: Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges
• Authors of publication: Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6573
• a: 11.1768 ± 0.0005 Å
• b: 12.2798 ± 0.0007 Å
• c: 13.8457 ± 0.0005 Å
• α: 92.345 ± 0.004°
• β: 101.299 ± 0.004°
• γ: 110.315 ± 0.005°
• Cell volume: 1735.26 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No