# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_gicoch4m 
_shelx_title ' gicoch4m in C2/m' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum     7516.44 
_exptl_crystal_F_000     11126.00 
_reflns_d_resolution_high  0.7480 
 
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' 
 '-x, -y, -z' 
 'x, -y, z' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, -y+1/2, z' 
 
_cell_length_a    37.4321 
_cell_length_b     4.0529 
_cell_length_c    43.5452 
_cell_angle_alpha  90.000 
_cell_angle_beta  108.803 
_cell_angle_gamma  90.000 
 
_shelx_F_squared_multiplier     1.000 
 
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 
   4   0   0   127441.10   160425.55  17584.36 o 
   6   0   0   230839.28   303209.41  41255.37 o 
   8   0   0   259372.66   278206.38  23658.08 o 
  10   0   0  1677667.75  2029293.63 174165.23 o 
  12   0   0   455462.19   536238.31  18504.64 o 
  14   0   0   922903.81  1005461.44 115767.33 o 
  16   0   0    26757.10    36527.58   9359.49 o 
  18   0   0     6921.84    36138.67   9908.28 o 
  20   0   0    52384.33    71293.38  12612.02 o 
  24   0   0     4660.06    37971.71  12902.49 o 
  26   0   0   235490.13   223078.00  22013.80 o 
  28   0   0   488997.31   414041.13  27302.24 o 
  30   0   0   257652.25   258117.58  25522.46 o 
  32   0   0   345785.16   319188.16  25620.12 o 
  36   0   0  1933498.38  1873049.13  89214.43 o 
  38   0   0   450251.81   373266.50  44190.70 o 
  40   0   0   106898.84   107616.23  32855.09 o 
  42   0   0    44895.97    70501.05  26607.59 o 
  44   0   0   204957.41   272737.25  44264.36 o 
  46   0   0   263876.41   324716.56  45534.55 o 
   1   1   0   196616.13   180528.67  13520.63 o 
   3   1   0   892644.00  1041404.94  33138.31 o 
   5   1   0   297126.41   313385.97  20171.60 o 
   7   1   0   898122.63  1048717.50  65219.65 o 
   9   1   0     4526.32    10928.37   2850.45 o 
  11   1   0   177962.80   172848.70  15096.35 o 
  13   1   0   617076.13   626813.25  49185.20 o 
  15   1   0    18964.06    21025.02   4755.59 o 
  17   1   0  2678838.00  2702952.00 179629.05 o 
  19   1   0   684232.25   703353.44  24763.77 o 
  21   1   0    86689.36    89517.23   8511.98 o 
  23   1   0      461.57     6695.85   6033.13 o 
  25   1   0   217928.41   214875.03  13417.02 o 
  27   1   0   452625.06   568497.00  24705.22 o 
  29   1   0   131297.39   149821.00  15701.51 o 
  31   1   0    64012.11    65756.95  13275.63 o 
  33   1   0     6892.70    10290.46  11320.30 o 
  35   1   0     2598.57    12897.06   9912.46 o 
  37   1   0   127903.93   162678.05  19322.63 o 
  39   1   0    46142.04    58334.38  19775.89 o 
  41   1   0    55710.60    89643.71  19495.80 o 
  43   1   0    36772.46    48864.00  16823.86 o 
  45   1   0    35437.67    50601.87  17988.73 o 
   0   2   0 56496892.00 61509684.003485080.50 o 
   2   2   0    28695.72    22562.97   2817.35 o 
   4   2   0    82149.69    81972.14   4271.46 o 
   6   2   0   135358.66   141580.38   5070.17 o 
   8   2   0   172560.22   167960.95   5195.79 o 
  10   2   0  1057990.38  1203314.88  62512.48 o 
  12   2   0   286002.84   305376.97   9092.63 o 
  14   2   0   554117.25   609440.50  24683.28 o 
  16   2   0    12032.25    23178.12   5133.53 o 
  18   2   0     5912.09    12281.63   4886.67 o 
  20   2   0    33431.58    39200.86   6307.56 o 
  22   2   0    29041.01    47889.66   9343.98 o 
  24   2   0     4789.26     1269.79   7261.16 o 
  26   2   0   187318.78   204915.48  19040.50 o 
  28   2   0   326287.78   322032.81  18599.13 o 
  30   2   0   189388.05   198412.47  15557.06 o 
  32   2   0   251213.67   251470.39  17640.32 o 
  34   2   0     3111.10    14066.32  12735.57 o 
  36   2   0  1512107.38  1416823.38  39411.17 o 
  38   2   0   328840.13   290666.22  25980.68 o 
  40   2   0    78499.64    89789.70  14515.60 o 
  42   2   0    33375.54    37972.74  31041.63 o 
   1   3   0   114763.52   118564.06  10438.96 o 
   3   3   0   367021.06   336438.78  21110.47 o 
   5   3   0   115231.48   132550.58  13587.60 o 
   7   3   0   371584.88   336460.00   9687.48 o 
   9   3   0     1681.43     2823.53   3498.62 o 
  11   3   0    82885.93    84612.10   6044.16 o 
  13   3   0   218427.14   198685.67  17915.09 o 
  15   3   0    13169.56     9371.36   5210.01 o 
  17   3   0  1266891.13  1347289.25  59552.95 o 
  19   3   0   364595.16   393679.38  48008.49 o 
  21   3   0    46331.01    51427.54  10276.46 o 
  23   3   0      187.00    -8028.32  17335.41 o 
  25   3   0   111237.11   139852.61  14811.64 o 
  27   3   0   274135.41   345655.31  81727.79 o 
  29   3   0    81922.66   102200.84  14311.25 o 
  31   3   0    32545.60    48946.80  12267.58 o 
  33   3   0     8407.73    17723.93  12731.10 o 
  35   3   0      840.34     1550.12  10789.28 o 
  37   3   0    80037.13   107015.41  18288.71 o 
  39   3   0    29838.12    48869.95  15113.48 o 
   0   4   0 18493816.00 16872896.00 318549.53 o 
   2   4   0    14230.89    19974.65   5933.54 o 
   4   4   0    36508.21    41764.26   7013.06 o 
   6   4   0    57105.02    67850.87   8085.82 o 
   8   4   0    79042.56    70765.59   8180.82 o 
  10   4   0   368345.97   322547.63  17296.95 o 
  12   4   0   100065.41   107092.15  17711.18 o 
  14   4   0   182613.53   186595.97  15384.35 o 
  16   4   0      921.78     2748.12   8416.12 o 
  18   4   0     3449.72      613.14   8978.77 o 
  20   4   0    10296.16    21265.76   9812.50 o 
  22   4   0    13058.14    25232.30  12439.70 o 
  24   4   0     4068.26     6311.95   9554.63 o 
  26   4   0   101192.69   137147.09  26574.60 o 
  28   4   0   116812.08   122726.92  29780.35 o 
  30   4   0    86181.86   125883.79  26246.23 o 
   1   5   0    50223.63    58984.24   8482.75 o 
   3   5   0    89801.87   107617.30  11443.68 o 
   5   5   0    33666.03    52238.05  10817.08 o 
   7   5   0   117868.29   136178.30  14951.70 o 
   9   5   0      881.06    25026.86   9481.27 o 
  11   5   0    27329.56    65621.32  14635.19 o 
  13   5   0    43906.50    57852.11  27640.43 o 
 -46   0   1    64299.26   134217.17  27875.18 o 
 -44   0   1   577736.38   538036.25  52617.25 o 
 -42   0   1   105464.68   153594.23  33759.95 o 
 -40   0   1    23948.79    31584.37  21719.91 o 
 -38   0   1    38161.64    11222.20  21267.88 o 
 -36   0   1   368354.97   326692.44  45544.98 o 
 -34   0   1   413297.44   386400.88  42832.82 o 
 -32   0   1   194828.11   187505.23  22723.43 o 
 -30   0   1    35303.60    18400.43  14115.07 o 
 -28   0   1   186393.67   203794.17  22525.07 o 
 -26   0   1     1479.70     5356.88  11746.51 o 
 -24   0   1   217538.77   256362.14  22316.97 o 
 -22   0   1  1552425.63  1470481.75 163444.39 o 
 -18   0   1   132949.13   161961.66  15891.12 o 
 -16   0   1   298988.44   279676.41  16983.77 o 
 -12   0   1  1111019.75  1208507.88  92200.07 o 
 -10   0   1  2673615.50  3319745.25  48528.39 o 
  -8   0   1    30021.65    37442.66   6327.15 o 
  -4   0   1    10297.17    15261.14   2994.16 o 
   2   0   1    14138.60     4707.20   2715.69 o 
   4   0   1    35712.73    40416.13   6427.90 o 
   8   0   1   390202.81   469362.69  68395.18 o 
  10   0   1   374209.38   446650.50  14975.69 o 
  12   0   1   839374.81   913412.63  84632.75 o 
  14   0   1    22594.35    19639.34  14299.61 o 
  16   0   1     4941.97    15525.64   7867.13 o 
  18   0   1   228265.23   250862.33  19152.20 o 
  20   0   1   696499.63   739395.00  30822.81 o 
  22   0   1   381063.63   388735.34  54255.10 o 
  24   0   1   120423.36   133744.69  18258.24 o 
  26   0   1   225624.56   217413.09  22150.27 o 
  28   0   1    27989.44    41880.85  14046.67 o 
  30   0   1   145167.63   147412.61  20536.72 o 
  34   0   1  1213821.88  1177043.75  72533.89 o 
  36   0   1   457016.78   589622.56  53972.52 o 
  38   0   1   286838.56   336784.31  47439.50 o 
  40   0   1   182310.72   214982.81  40371.50 o 
  42   0   1    59045.37    30952.25  23530.95 o 
  44   0   1    85617.02    85166.55  29052.56 o 
  46   0   1    63189.41    93309.26  27965.62 o 
 -45   1   1    12904.85    30513.98  12904.93 o 
 -43   1   1     1662.41     3966.14  15022.48 o 
 -41   1   1     5187.07    24050.04  12479.96 o 
 -39   1   1    12083.25    31054.50  16866.45 o 
 -37   1   1   280303.75   262546.22  20916.43 o 
 -35   1   1    71127.71    81920.76  14258.36 o 
 -33   1   1    24094.13    27573.99  11181.46 o 
 -31   1   1    92802.02    76934.13  13639.27 o 
 -29   1   1   187250.33   165986.75  16531.15 o 
 -27   1   1  2041831.13  2140545.25  54111.04 o 
 -25   1   1   283615.09   255525.77  14633.94 o 
 -23   1   1    16464.26    24206.71   7119.88 o 
 -21   1   1     7283.16    11868.26   5747.18 o 
 -19   1   1   594328.31   608909.25  16163.63 o 
 -17   1   1   151716.47   218648.64  38248.33 o 
 -15   1   1     3483.69     8484.89   4163.04 o 
 -13   1   1    25521.71    23374.85   4327.26 o 
 -11   1   1   290525.50   284579.63  17024.83 o 
  -9   1   1     1869.68     2270.11   3231.85 o 
  -5   1   1  1914996.88  2235947.00 150671.52 o 
  -3   1   1   110433.61   124014.95   8168.72 o 
  -1   1   1   308022.94   297843.63  15244.03 o 
   1   1   1     1781.98     2475.28   1027.34 o 
   3   1   1    78475.30    98450.73   7637.19 o 
   7   1   1    16253.32    20030.77   9997.64 o 
   9   1   1   468131.44   445447.47  24602.09 o 
  13   1   1   233159.20   257839.38  17124.02 o 
  15   1   1     5870.60     9529.78   3962.25 o 
  17   1   1  8399093.00  8999445.00 587706.31 o 
  19   1   1    15859.66    43393.63  21597.44 o 
  21   1   1    61294.88    72658.55   7939.87 o 
  23   1   1    31167.58    53054.11   8055.56 o 
  25   1   1    68934.26    70556.14   9792.07 o 
  27   1   1   336016.97   283856.78  18084.10 o 
  29   1   1    44216.48    47888.63  11381.85 o 
  31   1   1    10522.22    14866.44   9995.15 o 
  33   1   1      160.88    -7279.79   8620.83 o 
  35   1   1    47292.40    29936.14  12041.88 o 
  37   1   1   287574.06   276282.84  29857.63 o 
  39   1   1     1593.56    20339.50  16944.23 o 
  41   1   1    30312.24    36600.42  16918.89 o 
  43   1   1    34149.23    67949.88  16974.35 o 
  45   1   1    48290.52    69658.45  20269.03 o 
 -44   2   1   459101.66   435062.03  44367.91 o 
 -42   2   1    81798.79    96859.65  15277.78 o 
 -40   2   1    20049.29    37940.37  11289.02 o 
 -38   2   1    29786.76    18246.31  13067.78 o 
 -36   2   1   269826.09   267621.38  22408.42 o 
 -34   2   1   300610.28   306187.78  18939.96 o 
 -32   2   1   144146.81   148851.70  14608.99 o 
 -30   2   1    27158.29    28470.57   9588.33 o 
 -28   2   1   132272.98   143092.95  14940.09 o 
 -26   2   1     2106.47     3262.65  12839.75 o 
 -24   2   1   131149.30   162052.80  21085.35 o 
 -22   2   1  1034587.50  1067549.50  36670.65 o 
 -20   2   1    97636.48   142109.39  19662.19 o 
 -18   2   1    90462.36   105297.92   8100.22 o 
 -16   2   1   171234.70   179248.83  26434.47 o 
 -14   2   1    18122.59    46628.92  10326.41 o 
 -12   2   1   624444.88   654252.69  39497.48 o 
 -10   2   1  1662133.13  1953695.50 106303.24 o 
  -8   2   1    17905.82    23441.13   2863.45 o 
  -6   2   1   260353.22   244531.27  11868.90 o 
  -4   2   1     7430.58     9090.39   3017.40 o 
  -2   2   1    16385.57    28079.78   3445.64 o 
   2   2   1     6073.77    10271.09   2340.27 o 
   4   2   1     9248.99     8806.99   2188.17 o 
   6   2   1     4776.48     6564.78   3551.67 o 
   8   2   1   217526.02   235996.72   8523.34 o 
  10   2   1   222719.09   271143.16  16624.27 o 
  12   2   1   481272.19   480849.78  22675.75 o 
  14   2   1     6297.50    22090.30  10684.92 o 
  16   2   1      420.24     6033.02   4950.53 o 
  18   2   1   153878.98   159985.92  17587.08 o 
  20   2   1   441977.66   466648.34  13425.71 o 
  22   2   1   239131.50   237989.50  17207.09 o 
  24   2   1    94955.06    88605.84  11796.59 o 
  26   2   1   168068.36   154752.42  21409.77 o 
  28   2   1    17628.69    25586.53   9617.70 o 
  30   2   1   107582.89   140393.00  13901.79 o 
  32   2   1    15591.21    18357.48   9356.30 o 
  34   2   1   905701.25   940150.06  56352.53 o 
  36   2   1   351503.59   436928.72  23586.99 o 
  38   2   1   215264.86   209185.50  19841.98 o 
  40   2   1   135859.33   121054.92  16280.02 o 
  42   2   1    44438.41   100522.41  19263.87 o 
 -39   3   1    10189.82    32291.10   9278.75 o 
 -37   3   1   158244.58   190963.33  16768.75 o 
 -35   3   1    38033.04    46104.16  16796.96 o 
 -33   3   1    10662.08    14619.16  11594.39 o 
 -31   3   1    57298.65    65528.39  16767.77 o 
 -29   3   1    92148.44   124793.88  48315.25 o 
 -27   3   1  1086318.38  1262029.13 194072.19 o 
 -25   3   1   130692.70   146459.02  15258.87 o 
 -23   3   1    16288.42    27936.09  11959.96 o 
 -21   3   1     4988.78      601.08  11014.14 o 
 -19   3   1   322498.41   332187.13  41087.39 o 
 -17   3   1    67638.16    67784.32  13334.22 o 
 -15   3   1     2937.64      960.92   4923.26 o 
 -13   3   1    23270.87    16566.98   5177.91 o 
 -11   3   1   128368.63   110070.72   7846.80 o 
  -9   3   1     3632.75    20253.80   6246.07 o 
  -5   3   1   755185.81   667551.44  24946.00 o 
  -3   3   1    63135.71    61504.93   6282.24 o 
  -1   3   1   127143.72   129885.75   7773.86 o 
   1   3   1     7542.75    10538.36   4217.03 o 
   3   3   1    40005.43    57147.14  14134.26 o 
   5   3   1    80011.91    81606.01   8047.48 o 
   7   3   1    11614.71    17424.01   5238.00 o 
   9   3   1   188795.72   158244.89  10791.10 o 
  11   3   1   164964.75   185656.98   8816.27 o 
  13   3   1    98682.05   101173.94  11397.64 o 
  15   3   1      323.78     5083.43   6730.04 o 
  17   3   1  4138298.75  4387865.00 193925.88 o 
  19   3   1     7564.96    17055.88  14109.45 o 
  21   3   1    49595.51    51430.56  19844.46 o 
  23   3   1    20635.19    35237.96  14987.71 o 
  25   3   1    39611.21    29805.87   9897.15 o 
  27   3   1   188953.25   221662.89  51457.01 o 
  29   3   1    30026.08    54509.67  15671.70 o 
  31   3   1     5997.16    12729.53  11355.01 o 
  33   3   1      142.39     7444.14  10604.30 o 
  35   3   1    34927.35    33216.28  10641.40 o 
  37   3   1   172970.89   200019.42  18434.51 o 
  39   3   1     1358.56    -2262.42   9683.16 o 
 -30   4   1    13810.34    26556.47  17539.10 o 
 -28   4   1    56349.89    63908.32  15084.67 o 
 -26   4   1     3479.62    11109.36   9410.43 o 
 -24   4   1    35812.52    51099.58  26890.85 o 
 -22   4   1   386607.72   382712.13  47502.22 o 
 -20   4   1    38786.77    56316.73  12038.91 o 
 -18   4   1    32779.15    47971.61  11235.13 o 
 -16   4   1    48815.78    57618.93  12145.16 o 
 -14   4   1    14022.78    26516.36   9515.00 o 
 -12   4   1   162874.73   154930.84  18937.23 o 
 -10   4   1   640963.56   610878.69  27273.33 o 
  -8   4   1     7200.40    10604.49   5699.83 o 
  -6   4   1    80332.10    76601.06   8114.02 o 
  -4   4   1     4286.00    11864.43   5445.11 o 
  -2   4   1    12873.98    32809.33   6749.63 o 
   0   4   1      254.89    57284.40  25791.55 o 
   2   4   1     1063.83     5930.93   7825.17 o 
   4   4   1       56.03     -294.79   4809.54 o 
   6   4   1      392.32    -3915.94   5125.16 o 
   8   4   1    58745.73    69713.10   8020.31 o 
  10   4   1    62677.34    64276.86  11216.45 o 
  12   4   1   151731.41   157187.30  14038.75 o 
  14   4   1      269.62    -7408.65   7408.65 o 
  16   4   1     2036.68    12999.61   9783.09 o 
  18   4   1    62443.17    71473.22  20207.47 o 
  20   4   1   147245.30   191759.98  32310.06 o 
  22   4   1    79705.66   103502.52  32263.40 o 
  24   4   1    50737.98    65853.70  24417.18 o 
  26   4   1    79592.09    94204.79  14113.73 o 
  28   4   1     5635.77    29334.96  16229.18 o 
 -15   5   1     1237.53    -5067.82  11312.10 o 
 -13   5   1    13854.87    14033.92  26600.88 o 
 -11   5   1    37263.42    42044.46  16565.33 o 
  -9   5   1     8728.09    43404.81  14107.49 o 
  -7   5   1    18066.73    37947.04  13722.29 o 
  -5   5   1   195156.73   180333.02  16445.21 o 
  -3   5   1    29787.81    36555.76   8595.17 o 
  -1   5   1    38007.41    45677.03   7595.28 o 
   1   5   1    10738.51    20773.73   6941.73 o 
   3   5   1    13680.18    22914.74   8929.01 o 
   5   5   1    38165.14    59656.53  12666.94 o 
   9   5   1    52837.17    83473.80  24197.28 o 
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 -27   1  55    69443.29    70864.81  25431.69 o 
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