Information card for entry 7111052

Structure parameters

• Formula: C36 H84 Br3 Cu11 O12 P6 Se13
• Calculated formula: C36 Br3 Cu11 O12 P6 Se13
• Title of publication: A novel nonacoordinate bridging selenido ligand in a tricapped trigonal-prismatic geometry. X-Ray structure of Cu11(μ9-Se)(μ3-Br)3[Se2P(OPri)2]6
• Authors of publication: Liu, C. W.; Hung, Chiu-Mine; Chen, Hsiu-Chih; Wang, Ju-Chung; Keng, Tai-Chiun; Guo, Kermin
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 1897
• a: 15.282 ± 0.0008 Å
• b: 15.5376 ± 0.0008 Å
• c: 20.4796 ± 0.0011 Å
• α: 93.011 ± 0.001°
• β: 106.941 ± 0.001°
• γ: 108.216 ± 0.001°
• Cell volume: 4363.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1535
• Weighted residual factors for significantly intense reflections: 0.1397
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No