Information card for entry 8103246

Structure parameters

• Formula: C46 H46 Br2 Cu2 N8 P2
• Calculated formula: C46 H46 Br2 Cu2 N8 P2
• Title of publication: Crystal structure of bis[(triphenylphospine-?P)(3-amino-5,6-dimethyl-1,2,4-triazine-?N2)(?-bromo)copper(I)], [CuBr(C5H8N4)(PC18H15)]2
• Authors of publication: Man-Hua Wu; Rong Wang; Zhong-Feng Li; Ye-Lan Xiao; Qiong-Hua Jin; Cun-Lin Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 555
• a: 9.8813 ± 0.0008 Å
• b: 10.0739 ± 0.0009 Å
• c: 13.6497 ± 0.0012 Å
• α: 95.654 ± 0.001°
• β: 107.957 ± 0.002°
• γ: 113.16 ± 0.001°
• Cell volume: 1150.25 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No