Information card for entry 7111053

Structure parameters

• Formula: C36 H84 Br Cu8 F6 O12 P7 Se12
• Calculated formula: C36.58 H80 Br Cu8 F6 O11.42 P7 Se12
• 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: 24.345 ± 0.005 Å
• b: 13.151 ± 0.003 Å
• c: 24.991 ± 0.005 Å
• α: 90°
• β: 91.34 ± 0.03°
• γ: 90°
• Cell volume: 7999 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No