single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
收藏Mendeley Data2024-03-27 更新2024-06-28 收录
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资源简介：
dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction) Single crystals suitable for X-Ray analysis were obtained via slow evaporation of a DCM solution under ambient pressure.Crystal Data for C18H17BrN5O3Re (M =617.47 g/mol): triclinic, space group P-1 (no. 2), a = 8.1070(3) Å, b = 9.9680(3) Å, c = 12.8159(4) Å, α = 105.330(3)°, β = 101.878(3)°, γ = 94.429(3)°, V = 967.87(6) Å3, Z = 2, T = 150 K, μ(GaKα) = 10.252 mm-1, Dcalc = 2.119 g/cm3, 10723 reflections measured (6.402° ≤ 2Θ ≤ 124.97°), 4524 unique (Rint = 0.0160, Rsigma = 0.0122) which were used in all calculations. The final R1 was 0.0224 (I > 2σ(I)) and wR2 was 0.0604 (all data).
创建时间：
2023-06-28
