Information card for entry 7219322

Structure parameters

• Formula: C60 H76 B Cl Cu3 N30 O48 W12
• Calculated formula: C60 H60 B Cl Cu3 N30 O48 W12
• Title of publication: Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties
• Authors of publication: Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1631
• a: 11.3945 ± 0.0005 Å
• b: 14.8843 ± 0.0008 Å
• c: 15.869 ± 0.0007 Å
• α: 64.69 ± 0.005°
• β: 89.747 ± 0.004°
• γ: 89.661 ± 0.004°
• Cell volume: 2433 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No