1us0 8.08 0.0936 0.1032 0.0920 0.0950 0.0006 0.0905 -7.50 0.0920 0.0950 NA NA NA 0.1013 0.1076 0.0007 0.0997 -11.29 0.9838 none none auto 73 0 0 10 2 NA 0 0.454 0.454 0.445 -1.551 -1.551 -1.371 -0.020 -0.020 0.084 -0.073 -0.073 0.116 0.458 0.458 0.463 5.346 5.346 0.923 1.743 1.743 1.083 12 12 12 18 17 17 NA NA NA SHELXL-97 2003 0.66 0.66 20.00 511213 25585 5.0 25585 132.0 49.28 66.59 47.26 90 92.4 90 8.58 5.30 ANISOT SIMP 1.5 1.2 1.2 0 0 none 0 0 'P 1 21 1' 59 126 51 277 0.003 0.003 0.003 0.874 0.879 0.875 0.66 0.989 0.986 -59.79 0.989 0.984 -21.33 0.65300 0 40.55 X-ray 88.3 0 0 1 1 2024-05-20 5 0 82 84 89 91 30 37 81 81 24 25 NA NA NA 68 68 0 0 0.502 0.502 0.509 0.534 0.534 0.554 0.0100 -30.20 NA -7.84 T F 0 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.9927 0.9926 0.9927 0.9926 0.9923 0.9926 F 1.6 10
