data_2106777
_cell_angle_alpha                90.000
_cell_angle_beta                 119.433
_cell_angle_gamma                90.000
_cell_length_a                   21.6585
_cell_length_b                   5.6648
_cell_length_c                   15.0922
_exptl_crystal_F_000             4062.00
_reflns_d_resolution_high        0.7983
_cod_data_source_file            dk5037Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '  monoauc2 in C 2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1809.27
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
15 -5 0 24667.69 25464.08 7519.59 o
4 -4 0 108566.63 93482.21 7775.94 o
6 -4 0 37321.01 30847.42 4357.95 o
8 -4 0 139946.84 136207.16 10937.59 o
10 -4 0 6138.36 5127.00 3076.20 o
12 -4 0 14011.68 8801.34 3247.10 o
14 -4 0 4960.26 5505.42 2869.08 o
16 -4 0 3930.73 341.80 5297.90 o
18 -4 0 3627.71 -85.45 5041.54 o
3 -3 0 4364.19 6494.19 3161.65 o
5 -3 0 37752.13 55200.65 5468.79 o
7 -3 0 98276.07 83142.77 7775.94 o
9 -3 0 145352.63 142188.66 10937.59 o
11 -3 0 77454.75 48535.55 5896.04 o
13 -3 0 84423.01 67685.69 5588.31 o
15 -3 0 35419.18 37825.94 4502.70 o
17 -3 0 117958.87 153553.50 15637.33 o
19 -3 0 50838.48 40930.51 7434.14 o
21 -3 0 5978.92 3929.02 2995.40 o
4 -2 0 97328.59 87415.26 7605.04 o
6 -2 0 176003.11 193031.36 13415.64 o
8 -2 0 194462.92 181922.88 13671.99 o
10 -2 0 17508.63 20822.82 6280.57 o
12 -2 0 5380.77 6289.99 2339.44 o
14 -2 0 246.90 -589.34 2259.28 o
16 -2 0 3569.73 2392.60 5639.69 o
18 -2 0 4937.64 0.00 5212.44 o
20 -2 0 3792.32 2884.15 2997.40 o
22 -2 0 4040.10 3008.51 4870.65 o
3 -1 0 4127.48 2136.25 3503.45 o
5 -1 0 13308.78 4785.20 4357.95 o
7 -1 0 93149.76 43512.44 4167.82 o
9 -1 0 122637.67 143686.56 8729.60 o
11 -1 0 239680.50 237166.16 19365.34 o
13 -1 0 24055.97 28958.38 3748.33 o
15 -1 0 19198.85 24362.65 4571.57 o
17 -1 0 320946.25 395019.38 22514.96 o
19 -1 0 118265.43 112081.49 7757.20 o
21 -1 0 7157.41 9888.76 3675.07 o
23 -1 0 9978.02 4919.23 3037.35 o
2 0 0 68732.52 142254.61 6975.29 o
4 0 0 57277.48 56508.83 3715.41 o
6 0 0 209658.50 268301.22 14040.81 o
8 0 0 73272.83 55339.99 5551.40 o
10 0 0 29448.68 19102.19 3596.10 o
12 0 0 63.39 3153.03 3585.61 o
14 0 0 248.88 4383.37 4870.65 o
16 0 0 9754.92 6316.87 2601.68 o
18 0 0 6264.99 5435.18 2406.26 o
20 0 0 208.77 3800.16 2406.26 o
22 0 0 4459.31 5107.04 2345.94 o
1 1 0 6162.10 1673.60 1694.47 o
3 1 0 4581.15 666.51 1493.43 o
5 1 0 13655.63 4157.84 1817.99 o
7 1 0 91902.89 42326.32 7868.29 o
9 1 0 122502.02 161409.05 7838.46 o
11 1 0 239385.30 257324.16 11425.85 o
13 1 0 24552.78 33690.23 3523.77 o
15 1 0 18787.49 22030.19 3239.92 o
17 1 0 323140.06 375065.06 17531.72 o
19 1 0 118961.97 106458.59 5797.47 o
21 1 0 7308.66 5090.63 2304.19 o
23 1 0 9668.61 8584.20 2563.15 o
0 2 0 2715097.50 6001885.00 352651.97 o
2 2 0 75778.88 127530.40 6665.64 o
4 2 0 92397.75 85310.44 4977.08 o
6 2 0 172660.03 168159.00 14217.85 o
8 2 0 197177.50 175301.88 10926.03 o
10 2 0 17499.51 17996.99 4998.82 o
12 2 0 5295.17 10456.42 2955.99 o
14 2 0 288.64 563.61 2686.89 o
16 2 0 3545.99 7582.20 2892.60 o
18 2 0 5007.63 4329.46 2781.34 o
20 2 0 3798.76 1622.51 2442.14 o
22 2 0 3672.85 6672.05 3289.82 o
1 3 0 758.82 -1504.61 2268.30 o
3 3 0 4240.24 2781.11 2200.46 o
5 3 0 37921.64 38025.21 6237.84 o
7 3 0 98471.03 90424.55 6070.40 o
9 3 0 145272.63 135831.27 7963.63 o
11 3 0 74134.94 49137.54 6964.17 o
13 3 0 85860.44 71454.46 5027.37 o
15 3 0 34742.62 30570.26 9228.59 o
17 3 0 120010.66 126208.66 7734.50 o
19 3 0 49064.07 43308.32 3869.96 o
21 3 0 5971.06 6176.81 2666.04 o
0 4 0 769027.81 1160580.88 95447.55 o
2 4 0 71860.45 87985.91 5937.07 o
4 4 0 107205.68 94882.48 6313.32 o
6 4 0 39860.81 34094.52 5639.69 o
8 4 0 139469.95 148084.70 11621.19 o
10 4 0 6230.86 2819.85 4528.85 o
12 4 0 14079.85 18969.88 5383.34 o
14 4 0 4437.03 7743.08 2990.75 o
16 4 0 4039.59 6465.71 2440.37 o
18 4 0 3728.33 3758.84 2471.23 o
3 5 0 4730.16 10424.89 3845.25 o
5 5 0 48809.86 67676.34 6665.09 o
7 5 0 43733.52 47937.41 5981.49 o
9 5 0 85937.05 91431.41 8374.09 o
11 5 0 13963.29 17688.13 4699.75 o
13 5 0 71455.82 65881.88 7263.24 o
15 5 0 24579.05 42126.81 5981.49 o
2 6 0 28416.77 32812.77 4187.05 o
4 6 0 32909.78 44861.21 4956.10 o
6 6 0 13828.91 15637.33 3845.25 o
8 6 0 66953.04 68530.84 6579.64 o
10 6 0 1403.45 8801.34 4101.60 o
12 6 0 12178.21 12817.49 4187.05 o
-17 -5 1 26073.88 33154.57 6579.64 o
-15 -5 1 7300.22 9997.64 5725.14 o
15 -5 1 30081.77 30932.87 7348.69 o
-20 -4 1 1492.11 3175.58 2623.29 o
-18 -4 1 3346.66 2101.37 2780.07 o
-16 -4 1 86488.53 79219.93 6133.08 o
-14 -4 1 13654.22 7946.84 5896.04 o
-8 -4 1 282962.38 322829.78 23413.28 o
-6 -4 1 70439.85 62976.59 5981.49 o
4 -4 1 87214.98 90320.56 7775.94 o
6 -4 1 6232.62 15210.08 3845.25 o
8 -4 1 1844.65 1794.45 3503.45 o
10 -4 1 8995.66 5981.49 3759.80 o
12 -4 1 1791.67 1367.20 3503.45 o
14 -4 1 2009.62 2221.70 3247.10 o
16 -4 1 71359.42 60327.64 6066.94 o
18 -4 1 145.33 -1538.10 4443.40 o
-21 -3 1 15153.80 15584.38 3247.10 o
-19 -3 1 39972.77 27883.67 4030.34 o
-17 -3 1 39067.41 20050.68 3745.92 o
-15 -3 1 12239.33 13159.29 6066.94 o
-11 -3 1 11274.68 2136.25 3247.10 o
-9 -3 1 3343.59 2050.80 2990.75 o
-7 -3 1 3995.25 1623.55 3076.20 o
-5 -3 1 2183.27 3759.80 3332.55 o
3 -3 1 90402.16 94507.61 7177.79 o
5 -3 1 178388.69 204652.56 15979.13 o
7 -3 1 7616.24 9741.29 4187.05 o
9 -3 1 165344.66 148597.41 12732.04 o
11 -3 1 373754.06 364956.59 26233.12 o
13 -3 1 15686.64 11108.49 4357.95 o
15 -3 1 42308.93 41970.98 4528.35 o
17 -3 1 22251.23 25128.02 5255.17 o
19 -3 1 38723.50 30505.62 6835.99 o
-22 -2 1 134.94 618.26 2940.14 o
-20 -2 1 799.39 3663.67 3057.44 o
-18 -2 1 2365.75 2515.53 3366.83 o
-14 -2 1 51210.49 61024.27 7818.67 o
-12 -2 1 85706.77 95689.58 5379.12 o
-10 -2 1 27647.03 27384.35 2882.53 o
-8 -2 1 1467864.00 2079081.88 147315.66 o
-6 -2 1 411886.94 615495.75 42554.06 o
-4 -2 1 27486.05 33069.12 4528.85 o
4 -2 1 87727.91 45972.05 5383.34 o
6 -2 1 1354.78 -939.95 3930.70 o
8 -2 1 254.97 2563.50 4699.75 o
10 -2 1 24117.74 24487.31 10766.69 o
12 -2 1 884.86 3184.61 2426.54 o
14 -2 1 5224.42 19134.99 4075.10 o
16 -2 1 75036.96 81861.02 7946.84 o
18 -2 1 170.10 3674.35 4870.65 o
20 -2 1 12830.06 7946.84 5383.34 o
-23 -1 1 6594.59 14616.36 3424.12 o
-21 -1 1 4297.56 6318.91 3424.12 o
-19 -1 1 111976.88 86208.29 5072.17 o
-17 -1 1 6871.59 5684.21 2579.57 o
-15 -1 1 9489.99 12033.50 5896.04 o
-13 -1 1 77605.55 82202.82 8117.74 o
-11 -1 1 2560.81 -2819.85 5554.24 o
-9 -1 1 385.30 4264.73 3493.22 o
-7 -1 1 10122.09 1262.23 2662.28 o
-5 -1 1 13701.04 4338.65 2805.25 o
-3 -1 1 8825.88 -1110.85 2990.75 o
1 -1 1 119634.52 39221.51 6237.84 o
3 -1 1 37984.13 28504.12 11920.26 o
5 -1 1 45101.01 66309.14 7092.34 o
7 -1 1 9990.15 18801.64 5383.34 o
9 -1 1 468083.72 680444.69 30041.34 o
11 -1 1 929805.13 1176872.13 51907.82 o
13 -1 1 14893.00 23575.97 3134.65 o
15 -1 1 9146.56 10223.97 2604.17 o
17 -1 1 69481.66 69269.88 5516.34 o
19 -1 1 45772.01 40076.01 8203.19 o
21 -1 1 1104.85 2343.54 3156.73 o
-24 0 1 1167.22 2302.74 2765.49 o
-22 0 1 889.61 11717.60 2410.73 o
-20 0 1 2026.45 775.28 2297.53 o
-18 0 1 72.66 -408.05 2408.78 o
-16 0 1 127462.59 102915.23 5744.05 o
-14 0 1 67637.56 92045.92 6239.77 o
-12 0 1 14948.93 30107.67 3571.82 o
-10 0 1 1277.48 6497.17 3008.55 o
-8 0 1 2081006.00 3569558.25 155532.61 o
-6 0 1 209420.98 317737.22 14723.88 o
-4 0 1 69.29 11776.29 3400.06 o
-2 0 1 140821.38 141697.17 6479.28 o
0 0 1 41502.44 2819.85 2563.50 o
2 0 1 165153.59 29850.89 4272.50 o
4 0 1 92957.66 13394.39 1699.20 o
6 0 1 2726.80 -1678.65 1815.73 o
8 0 1 8731.79 1572.81 1641.20 o
10 0 1 23404.51 27498.95 6529.35 o
12 0 1 83.94 4263.38 2719.04 o
14 0 1 8165.01 34291.12 3840.82 o
16 0 1 53332.32 41528.66 7775.94 o
18 0 1 1353.31 3066.25 2414.34 o
20 0 1 7914.84 5091.74 2294.96 o
22 0 1 17485.34 11699.88 4785.20 o
-23 1 1 6297.45 16580.14 3107.79 o
-21 1 1 4482.13 10402.84 2797.47 o
-19 1 1 110446.40 86823.69 5037.90 o
-17 1 1 6513.16 10998.89 2709.61 o
-15 1 1 9084.11 19290.17 2895.90 o
-13 1 1 78317.55 90542.02 8390.46 o
-11 1 1 2490.16 3517.02 1677.37 o
-9 1 1 377.52 3579.81 5383.34 o
-7 1 1 9488.54 2611.69 2352.19 o
-5 1 1 14330.77 1204.52 2584.77 o
-3 1 1 9053.05 1738.23 2151.60 o
-1 1 1 54378.41 4528.85 3588.90 o
1 1 1 114872.08 26130.26 12432.96 o
3 1 1 39117.08 17515.49 3254.49 o
5 1 1 47108.14 64269.02 4488.87 o
7 1 1 9991.35 15615.59 2890.87 o
9 1 1 472809.63 662955.88 29953.50 o
11 1 1 921936.06 1171751.50 66274.37 o
13 1 1 14231.38 23070.67 4062.08 o
15 1 1 8893.54 11226.51 2777.89 o
17 1 1 69734.05 71143.48 4433.10 o
19 1 1 45556.54 47203.50 3551.66 o
21 1 1 1198.07 4398.65 2233.88 o
-22 2 1 195.33 7858.51 2647.79 o
-20 2 1 752.83 3429.94 2751.15 o
-18 2 1 2659.12 3826.63 4187.05 o
-16 2 1 115945.52 109088.88 6773.16 o
-14 2 1 50864.72 55645.34 4717.40 o
-12 2 1 86612.08 96771.65 5034.91 o
-10 2 1 27950.66 24120.01 2460.53 o
-8 2 1 1462298.00 2098703.00 88928.23 o
-6 2 1 402146.00 590765.13 25665.31 o
-4 2 1 28523.16 34645.23 5950.48 o
-2 2 1 135815.00 159308.63 7508.47 o
0 2 1 87272.52 46190.11 12347.51 o
2 2 1 52328.41 6789.45 6835.99 o
4 2 1 87329.30 32659.32 8032.29 o
6 2 1 1403.13 1878.72 2032.32 o
8 2 1 221.77 6531.89 2833.55 o
10 2 1 24263.65 14734.69 3271.42 o
12 2 1 534.55 4541.99 2936.38 o
14 2 1 5161.53 21302.20 4229.77 o
16 2 1 75932.70 78996.30 5434.96 o
18 2 1 189.74 3936.15 2686.89 o
20 2 1 13606.18 11970.64 2813.74 o
-21 3 1 15630.71 8944.68 2701.63 o
-19 3 1 38989.20 37276.55 3672.73 o
-17 3 1 38710.19 36156.79 5383.34 o
-15 3 1 11186.97 17713.53 8374.09 o
-13 3 1 117264.38 113745.95 10937.59 o
-11 3 1 11583.22 5815.96 1718.80 o
-9 3 1 3065.83 5088.79 3930.70 o
-7 3 1 3856.99 1042.35 1779.58 o
-5 3 1 2066.44 3705.76 1900.31 o
-3 3 1 1859.11 -128.17 2477.31 o
-1 3 1 98272.70 53707.05 14953.74 o
1 3 1 154414.66 182006.00 18200.83 o
3 3 1 92965.55 77514.86 16449.11 o
5 3 1 181671.39 218111.89 15039.18 o
7 3 1 7779.15 4870.65 4870.65 o
9 3 1 167821.86 174317.83 13671.99 o
11 3 1 370314.94 358905.69 19354.42 o
13 3 1 15831.84 12324.69 2975.97 o
15 3 1 41953.25 45140.66 4078.36 o
17 3 1 21730.38 21438.71 3208.51 o
19 3 1 38691.63 40996.40 3789.90 o
-20 4 1 1387.03 8186.87 2544.68 o
-18 4 1 3694.72 2734.40 2431.65 o
-16 4 1 86297.20 91279.43 5473.13 o
-14 4 1 14370.30 12768.94 2813.74 o
-12 4 1 77557.06 68007.90 4681.12 o
-10 4 1 35656.37 30152.87 3588.90 o
-8 4 1 281626.31 325958.56 20849.77 o
-6 4 1 77768.54 76338.38 5194.90 o
-4 4 1 18395.75 21817.81 3261.12 o
-2 4 1 95948.53 121680.68 11792.09 o
0 4 1 85007.28 82793.61 11920.26 o
2 4 1 67003.84 65027.75 5170.02 o
4 4 1 88536.55 101514.50 8801.34 o
6 4 1 6188.18 4956.10 4699.75 o
8 4 1 2223.48 3503.45 4785.20 o
10 4 1 9163.60 10681.24 4699.75 o
12 4 1 1740.34 3674.35 4699.75 o
14 4 1 2115.49 4001.29 2412.70 o
16 4 1 71986.97 53247.05 5126.99 o
18 4 1 168.15 2967.44 2374.12 o
-17 5 1 26495.32 35632.62 5468.79 o
-15 5 1 7018.74 15893.68 4614.30 o
-13 5 1 95242.09 97583.80 8715.89 o
-11 5 1 7476.94 12133.89 4614.30 o
-9 5 1 1713.93 6494.19 4016.15 o
-7 5 1 4993.18 3816.07 4443.40 o
-5 5 1 7687.77 9525.99 2656.52 o
-3 5 1 13606.68 10187.29 2518.37 o
-1 5 1 51679.05 57593.24 7006.89 o
1 5 1 70107.72 81604.67 7519.59 o
3 5 1 58148.28 63318.39 6665.09 o
5 5 1 130762.25 142017.77 11535.74 o
7 5 1 8347.07 9228.59 4699.75 o
9 5 1 20466.63 32556.42 5639.69 o
11 5 1 44223.26 54517.05 6665.09 o
13 5 1 4666.56 3076.20 4528.85 o
15 5 1 29358.12 35632.62 5981.49 o
-12 6 1 33124.22 39050.61 5127.00 o
-10 6 1 13514.71 17431.78 4272.50 o
-8 6 1 33811.13 52551.70 5725.14 o
-6 6 1 8201.76 18542.63 4016.15 o
-4 6 1 8447.39 10083.09 3418.00 o
2 6 1 18735.58 23925.98 4101.60 o
4 6 1 38704.59 59473.14 5981.49 o
6 6 1 14784.71 17089.98 4357.95 o
8 6 1 6460.45 11108.49 4187.05 o
10 6 1 7712.42 7946.84 4101.60 o
-12 -6 2 16281.22 14355.59 6066.94 o
-17 -5 2 7137.47 -3161.65 4443.40 o
-15 -5 2 951.82 2905.30 5127.00 o
-13 -5 2 12228.31 14611.94 6066.94 o
-20 -4 2 21370.30 12988.39 5725.14 o
-18 -4 2 4670.79 2050.80 4870.65 o
-16 -4 2 63085.61 49568.38 4514.69 o
-14 -4 2 63477.43 62286.93 5069.56 o
-12 -4 2 19359.11 20299.34 3736.91 o
-10 -4 2 102863.81 97840.16 8032.29 o
2 -4 2 10768.01 4101.60 2734.40 o
4 -4 2 3409.00 -3076.20 3076.20 o
6 -4 2 536.41 939.95 3332.55 o
8 -4 2 51009.04 58105.94 6408.74 o
10 -4 2 13435.79 21447.93 4528.85 o
12 -4 2 73658.59 73316.03 7348.69 o
14 -4 2 31501.26 27856.67 4956.10 o
16 -4 2 51840.51 43371.89 4377.24 o
-21 -3 2 89744.20 68982.47 14099.24 o
-19 -3 2 8987.58 4630.70 2829.10 o
-17 -3 2 12174.02 4352.97 3013.96 o
-15 -3 2 73.43 -1469.90 3057.44 o
-13 -3 2 13249.08 27260.64 10681.24 o
-11 -3 2 264.88 769.05 5725.14 o
-1 -3 2 69424.70 66907.28 7006.89 o
1 -3 2 113489.97 167823.64 13501.09 o
3 -3 2 1088193.25 1517334.25 109632.24 o
5 -3 2 47517.46 31531.02 5297.90 o
7 -3 2 132728.67 119886.23 10681.24 o
9 -3 2 116178.28 123987.83 10339.44 o
11 -3 2 103727.89 131336.52 10595.79 o
13 -3 2 4871.36 6323.29 4187.05 o
15 -3 2 2385.64 4345.09 3299.46 o
17 -3 2 4129.54 5007.21 3161.62 o
19 -3 2 1200.67 0.00 5212.44 o
-22 -2 2 5459.98 4551.25 2986.57 o
-20 -2 2 14483.19 13178.23 3509.30 o
-18 -2 2 2227.95 1410.76 3037.35 o
-16 -2 2 242884.13 218073.80 10371.28 o
-14 -2 2 206210.19 239696.13 11319.01 o
-12 -2 2 67196.03 53236.66 4994.58 o
-10 -2 2 79298.83 79322.80 5964.42 o
-8 -2 2 357302.69 410637.06 44946.66 o
-6 -2 2 197620.75 259255.05 18713.53 o
-2 -2 2 11872.53 170.90 6066.94 o
0 -2 2 21024.70 -598.15 6408.74 o
2 -2 2 20946.35 8459.54 6152.39 o
4 -2 2 1830.19 -854.50 5639.69 o
6 -2 2 1193.61 3418.00 4357.95 o
8 -2 2 22631.87 17089.98 4785.20 o
10 -2 2 20330.85 13318.44 5255.17 o
12 -2 2 48846.60 55798.80 7006.89 o
14 -2 2 41958.04 45139.89 5468.79 o
16 -2 2 30710.53 33817.02 10510.34 o
18 -2 2 18641.09 39201.61 13202.01 o
20 -2 2 111209.74 126722.23 14099.24 o
-23 -1 2 155.11 2487.17 2986.57 o
-21 -1 2 66085.55 60866.67 4052.71 o
-19 -1 2 12433.73 9407.40 2655.79 o
-17 -1 2 8051.05 6120.66 2648.08 o
-15 -1 2 454.84 -425.93 2575.11 o
-13 -1 2 29352.97 14379.36 5029.58 o
-11 -1 2 7641.41 2002.58 2742.46 o
-9 -1 2 11899.88 3797.67 2735.64 o
-7 -1 2 63797.18 55104.08 4889.73 o
-5 -1 2 139932.06 156719.97 11023.04 o
-3 -1 2 31095.97 19979.83 6024.22 o
-1 -1 2 54345.17 41528.66 6921.44 o
1 -1 2 76613.05 119544.44 13842.89 o
3 -1 2 3273446.00 6329702.50 432120.22 o
5 -1 2 40821.84 59644.04 7348.69 o
7 -1 2 58062.05 69008.29 5280.47 o
9 -1 2 345326.91 406748.19 21025.89 o
11 -1 2 77711.95 77261.75 5615.73 o
13 -1 2 1331.45 2341.73 2747.51 o
15 -1 2 2634.67 1466.66 2321.18 o
17 -1 2 2100.65 3002.53 3448.58 o
19 -1 2 3084.67 -2221.70 5297.90 o
21 -1 2 7219.08 4870.65 5383.34 o
-24 0 2 25301.21 24565.41 3132.22 o
-22 0 2 9856.38 5674.82 2378.02 o
-20 0 2 234.50 1200.96 2363.04 o
-18 0 2 6077.07 7863.01 2590.30 o
-16 0 2 403342.91 401192.19 18321.08 o
-14 0 2 432097.69 603834.13 27083.98 o
-12 0 2 12175.41 7981.88 2910.72 o
-10 0 2 12379.51 29528.37 3607.20 o
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