# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_I 
_shelx_title ' HGCLPZS                         C2/M' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      192.53 
_exptl_crystal_F_000       307.91 
_reflns_d_resolution_high  0.8127 
 
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    11.8970 
_cell_length_b     7.7830 
_cell_length_c     3.8405 
_cell_angle_alpha  90.000 
_cell_angle_beta   90.986 
_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 
   2   0   0    27055.70    29425.06   1176.54 o 
   4   0   0     7727.91     8339.24    150.67 o 
   6   0   0    17381.23    18262.45    835.68 o 
   8   0   0     7489.22     7533.79     57.66 o 
  10   0   0     2763.31     2843.67     87.39 o 
  12   0   0     4069.31     4292.05    214.32 o 
  14   0   0     1371.48     1349.61    159.22 o 
   3   1   0     6448.31     6577.78    107.00 o 
   5   1   0    17155.09    17139.08    920.38 o 
   7   1   0    14058.60    13733.43    693.47 o 
   9   1   0     1806.88     1880.20     53.00 o 
  11   1   0     1312.43     1389.52     56.55 o 
  13   1   0     1939.91     1998.61     85.30 o 
   0   2   0    37068.30    32443.27    156.56 o 
   2   2   0    11426.24    11294.41    322.50 o 
   4   2   0     4946.46     4617.90     73.71 o 
   6   2   0    12034.10    12057.94    338.06 o 
   8   2   0     4808.25     4528.17    179.85 o 
  10   2   0     1405.70     1537.83     83.40 o 
  12   2   0     2472.85     2504.75     73.59 o 
  14   2   0      912.32      912.60     76.68 o 
   1   3   0    27291.71    26899.90   1498.47 o 
   3   3   0     7228.21     6649.34    211.57 o 
   5   3   0    11978.39    11368.01    178.51 o 
   7   3   0    11116.41    11103.42    566.84 o 
   9   3   0     2345.45     2491.58    101.98 o 
  11   3   0     2024.59     2134.04    115.52 o 
  13   3   0     2152.93     5970.89   2308.73 o 
   0   4   0    14585.97    14236.31   1056.46 o 
   2   4   0     6720.77     6213.89    270.72 o 
   4   4   0     5599.75     5331.64    199.51 o 
   6   4   0    10455.48    10207.25    117.05 o 
   8   4   0     3753.64     3895.86    134.35 o 
  10   4   0      769.58      817.19     45.71 o 
  12   4   0     1386.75     1491.96     97.82 o 
   1   5   0    11190.57    10517.79    477.31 o 
   3   5   0     2652.98     2461.03    100.99 o 
   5   5   0     3677.67     3718.97    136.05 o 
   7   5   0     4113.25     4242.70     77.29 o 
   9   5   0     1155.53     1226.80     57.07 o 
  11   5   0     1222.02     1213.64     28.76 o 
   0   6   0     7928.34     7612.43    560.67 o 
   2   6   0     4191.72     3883.65    160.99 o 
   4   6   0     3799.86     3723.61    180.23 o 
   6   6   0     6493.71     6445.25    187.85 o 
   8   6   0     2440.36     2528.82     48.64 o 
  10   6   0      539.59      526.11     25.27 o 
   1   7   0     4993.62     4949.46    270.18 o 
   3   7   0     1675.88     1659.25     58.48 o 
   5   7   0     2175.23     2150.52     74.60 o 
   7   7   0     2278.07     2256.76     82.45 o 
   9   7   0      732.90      726.68     62.99 o 
   0   8   0     2934.74     3054.91    145.86 o 
   2   8   0     1484.74     1627.85     64.26 o 
   4   8   0     1086.52     1108.63     55.40 o 
   6   8   0     1847.84     1815.83     81.14 o 
   8   8   0      778.90      720.81     24.71 o 
   1   9   0     1738.28     1807.92     93.89 o 
   3   9   0      849.46      864.55     41.20 o 
   5   9   0     1248.52     1267.82     63.38 o 
 -14   0   1      519.01      417.37     46.89 o 
 -12   0   1     2389.26     2310.32     88.96 o 
 -10   0   1     9738.92     9490.42    804.30 o 
  -8   0   1     6632.19     6772.64    388.26 o 
  -6   0   1     6513.85     6533.84     55.64 o 
  -4   0   1    23649.56    26435.62   1012.17 o 
  -2   0   1    20023.38    25765.35   1449.99 o 
   4   0   1    17597.21    19391.56    474.54 o 
   6   0   1     2781.93     2934.17     84.09 o 
   8   0   1     5844.60     6203.92    200.81 o 
  10   0   1     4746.56     4735.96    325.17 o 
  12   0   1      982.36     1058.44    141.49 o 
  14   0   1      788.71      727.42     39.63 o 
 -13   1   1      586.69      545.61     35.46 o 
 -11   1   1     3133.22     3030.12     94.99 o 
  -9   1   1     5070.70     4891.47    148.79 o 
  -7   1   1     3367.37     3385.93    137.05 o 
  -5   1   1    16217.70    17127.68    429.78 o 
  -3   1   1    29111.02    35440.57    950.86 o 
  -1   1   1     5264.04     5064.91    167.48 o 
   1   1   1     7262.33     7068.34    252.07 o 
   3   1   1    20118.21    21511.20   1209.33 o 
   5   1   1     6700.71     6787.70    282.23 o 
   7   1   1     4525.29     4785.05     94.77 o 
   9   1   1     5657.48     5801.30    103.89 o 
  11   1   1      983.42     1078.38     74.73 o 
  13   1   1      189.53      179.92     30.13 o 
 -14   2   1      355.97      327.18     53.24 o 
 -12   2   1     1398.09     1391.83     87.93 o 
 -10   2   1     6138.77     6268.85    242.98 o 
  -8   2   1     3940.23     3916.94    145.87 o 
  -6   2   1     4028.63     3934.37    133.72 o 
  -4   2   1    16515.37    16977.15    474.09 o 
  -2   2   1    11790.57    11810.80    318.54 o 
   0   2   1     6672.75     6110.04    307.32 o 
   2   2   1    20904.81    20945.58    755.01 o 
   4   2   1    10902.28    10754.82    208.95 o 
   6   2   1     1825.79     1782.08     37.47 o 
   8   2   1     4056.91     4080.74    183.87 o 
  10   2   1     3141.32     3357.31    122.80 o 
  12   2   1      456.78      448.97     28.46 o 
 -13   3   1      695.60      636.61     56.80 o 
 -11   3   1     3846.59     3799.45    211.17 o 
  -9   3   1     5918.05     6053.02    199.64 o 
  -7   3   1     3643.25     3629.75    165.57 o 
  -5   3   1    12040.32    12649.24    247.63 o 
  -3   3   1    19978.77    20276.38    627.89 o 
  -1   3   1     8687.20     7996.65    384.84 o 
   1   3   1    14758.18    13674.76    642.35 o 
   3   3   1    19887.98    19528.15    482.34 o 
   5   3   1     5444.04     5536.03    114.85 o 
   7   3   1     3588.63     3770.75     97.03 o 
   9   3   1     5010.57     5497.83    233.62 o 
  11   3   1     1372.82     1499.73     80.32 o 
  13   3   1      408.55      364.81     32.34 o 
 -12   4   1      900.26      835.03     44.48 o 
 -10   4   1     3404.94     3655.48    103.98 o 
  -8   4   1     2592.79     2706.76     77.12 o 
  -6   4   1     4075.16     3845.19     98.19 o 
  -4   4   1    13954.60    14128.68    427.13 o 
  -2   4   1     8824.27     8144.01    360.04 o 
   0   4   1     3390.99     3175.55    125.36 o 
   2   4   1     9898.67     9027.37    388.07 o 
   4   4   1     7710.00     7432.72    223.57 o 
   6   4   1     2447.20     2460.16     49.14 o 
   8   4   1     3608.38     3659.48    107.63 o 
  10   4   1     2093.21     2154.36    156.06 o 
  12   4   1      221.18      220.94     26.90 o 
 -11   5   1     2197.97     2051.44     98.04 o 
  -9   5   1     3334.12     3473.07    101.27 o 
  -7   5   1     1438.82     1479.94     39.11 o 
  -5   5   1     3855.43     3500.51    163.85 o 
  -3   5   1     7000.42     6472.83    271.60 o 
  -1   5   1     3712.18     3575.74    174.83 o 
   1   5   1     6693.71     6515.90    278.60 o 
   3   5   1     8623.26     8123.35    333.80 o 
   5   5   1     1819.04     1740.48     78.54 o 
   7   5   1     1036.85     1033.69     48.56 o 
   9   5   1     2223.06     2268.60     69.24 o 
  11   5   1      787.85      763.44     26.19 o 
 -10   6   1     1983.66     1928.07     64.11 o 
  -8   6   1     1666.91     1737.05     47.89 o 
  -6   6   1     2949.55     2985.92     86.45 o 
  -4   6   1     8293.96     7816.31    483.80 o 
  -2   6   1     5235.35     5172.51    224.13 o 
   0   6   1     2497.48     2460.45     90.62 o 
   2   6   1     5596.31     5501.73    234.51 o 
   4   6   1     4517.76     4435.10    206.18 o 
   6   6   1     1935.56     1951.53     63.42 o 
   8   6   1     2430.26     2549.42     97.18 o 
  10   6   1     1281.92     1228.39     63.06 o 
  -9   7   1     1748.66     1740.22     83.00 o 
  -7   7   1      970.55     1003.75     62.27 o 
  -5   7   1     2258.85     2273.76     93.18 o 
  -3   7   1     3709.47     3707.51    133.99 o 
  -1   7   1     2061.19     2031.33     76.98 o 
   1   7   1     3149.63     3194.06    132.76 o 
   3   7   1     4093.81     3883.58    167.27 o 
   5   7   1     1173.41     1144.46     37.90 o 
   7   7   1      723.11      701.38     27.98 o 
   9   7   1     1230.69     1125.71     43.18 o 
  -6   8   1      845.54      804.42     31.00 o 
  -4   8   1     2393.29     2482.90    130.69 o 
  -2   8   1     1685.97     1805.70     72.83 o 
   0   8   1      995.67     1105.25     33.15 o 
   2   8   1     2093.75     2197.99     81.92 o 
   4   8   1     1486.97     1543.97     70.97 o 
   6   8   1      517.75      463.31     26.74 o 
  -3   9   1     1782.62     1856.56    111.64 o 
  -1   9   1      879.80      891.50     34.61 o 
   1   9   1     1113.54     1162.95     31.24 o 
   3   9   1     1537.76     1435.79     55.78 o 
 -12   0   2     2007.79     1874.33     89.99 o 
 -10   0   2     2871.29     2659.70    281.63 o 
  -8   0   2    10784.52    10865.46    399.06 o 
  -6   0   2    10010.10    10500.51    220.61 o 
  -4   0   2     4255.88     4414.84     60.44 o 
  -2   0   2    13877.08    14551.41    111.29 o 
   2   0   2     8666.40     8852.18    578.83 o 
   4   0   2     9400.94     9983.63    654.09 o 
   6   0   2     7067.71     7307.07    360.97 o 
   8   0   2     1180.59     1278.64     49.21 o 
  10   0   2     1111.56     1231.07     45.34 o 
  12   0   2     1631.71     1735.31    113.63 o 
 -13   1   2     2335.94     2160.15    107.76 o 
 -11   1   2      975.50      931.94     48.69 o 
  -9   1   2     2760.77     2662.18     82.54 o 
  -7   1   2     8770.49     8811.05     84.83 o 
  -5   1   2     5639.93     5952.27    147.14 o 
  -3   1   2     8563.92     8734.67    145.50 o 
  -1   1   2    17843.31    18502.88   1227.31 o 
   1   1   2     5162.58     4838.19    319.63 o 
   3   1   2     2385.50     2132.66     46.24 o 
   5   1   2     7979.56     8287.76    147.74 o 
   7   1   2     3838.42     4092.05     76.56 o 
   9   1   2      821.98      934.16     28.06 o 
  11   1   2     1120.52     1237.95     80.17 o 
  13   1   2      414.59      457.15     51.37 o 
 -12   2   2     1355.74     1269.58     68.96 o 
 -10   2   2     1546.03     1601.39     73.94 o 
  -8   2   2     7017.73     6915.11    202.11 o 
  -6   2   2     6760.82     6646.11    224.96 o 
  -4   2   2     2779.67     2751.73     71.44 o 
  -2   2   2     9896.27     9620.88    241.58 o 
   0   2   2    12032.37    11589.14    492.64 o 
   2   2   2     3607.94     3293.02    202.63 o 
   4   2   2     5447.49     5346.55    197.42 o 
   6   2   2     5180.97     5190.36    110.71 o 
   8   2   2      805.43      841.75     27.59 o 
  10   2   2      716.62      781.32     45.84 o 
  12   2   2     1048.33     1043.32     44.27 o 
 -11   3   2     1339.06     1268.60     71.92 o 
  -9   3   2     3679.79     3635.44    144.77 o 
  -7   3   2     8608.58     8787.34    249.83 o 
  -5   3   2     4978.29     5062.94    120.95 o 
  -3   3   2     6571.86     6410.49    237.02 o 
  -1   3   2    14582.90    14222.89    658.20 o 
   1   3   2     7519.94     7178.49    278.83 o 
   3   3   2     4311.52     4061.40    162.94 o 
   5   3   2     7087.42     7104.41    333.93 o 
   7   3   2     3000.77     3088.92    121.78 o 
   9   3   2      751.17      743.12     29.68 o 
  11   3   2     1186.19     1202.72     65.63 o 
 -10   4   2      869.37      898.48     31.59 o 
  -8   4   2     4125.67     4294.94    136.73 o 
  -6   4   2     5033.52     5125.43    145.47 o 
  -4   4   2     3262.60     3175.37     86.57 o 
  -2   4   2     8270.38     7782.18    375.38 o 
   0   4   2     7448.82     7354.17    263.28 o 
   2   4   2     1805.27     1714.59     80.50 o 
   4   4   2     3384.36     3108.61    143.36 o 
   6   4   2     4218.19     4196.00    170.23 o 
   8   4   2      978.37     1071.39     34.13 o 
  10   4   2      625.87      586.04     27.99 o 
  -9   5   2     2193.18     2232.30     75.55 o 
  -7   5   2     4482.90     4702.36    148.48 o 
  -5   5   2     1783.61     1822.00     54.66 o 
  -3   5   2     2114.01     2016.83    101.25 o 
  -1   5   2     6212.61     6081.85    277.72 o 
   1   5   2     3697.69     3764.30    121.63 o 
   3   5   2     2191.54     2021.41    116.18 o 
   5   5   2     3203.87     3051.35    130.32 o 
   7   5   2     1060.95     1117.14     53.85 o 
   9   5   2      229.06      206.12     24.74 o 
  -8   6   2     2398.68     2390.10     82.37 o 
  -6   6   2     3157.82     3271.39    122.58 o 
  -4   6   2     2524.80     2619.31    117.73 o 
  -2   6   2     5094.99     4886.29    225.68 o 
   0   6   2     4331.80     4351.25    138.18 o 
   2   6   2     1316.72     1366.36     37.57 o 
   4   6   2     2114.59     2110.03     81.06 o 
   6   6   2     2645.82     2633.48    128.85 o 
   8   6   2      808.63      772.13     24.39 o 
  -7   7   2     2363.47     2330.52    134.83 o 
  -5   7   2     1164.53     1143.39     55.73 o 
  -3   7   2     1359.05     1314.23     73.58 o 
  -1   7   2     3189.95     3429.79    116.93 o 
   1   7   2     1896.87     2081.95     73.48 o 
   3   7   2     1183.06     1125.39     64.40 o 
   5   7   2     1692.89     1694.50     69.63 o 
   7   7   2      662.65      612.02     32.37 o 
  -4   8   2      710.71      724.38     49.01 o 
  -2   8   2     1586.07     1603.02     73.74 o 
   0   8   2     1567.18     1651.93     67.43 o 
   2   8   2      566.96      565.69     22.96 o 
   4   8   2      792.14      762.85     41.65 o 
 -10   0   3     3748.44     3365.49    284.26 o 
  -8   0   3     2722.02     2619.63    214.25 o 
  -6   0   3     5856.32     5815.49     98.27 o 
  -4   0   3     7962.85     7866.81    156.04 o 
   4   0   3     3156.22     2795.75     96.88 o 
   6   0   3     1375.25     1362.12     57.17 o 
   8   0   3     1746.90     1766.35     52.42 o 
  10   0   3      490.97      460.08     47.00 o 
 -11   1   3     2852.77     2662.89    128.31 o 
  -9   1   3     1602.22     1506.07     59.59 o 
  -7   1   3     1667.24     1670.05     61.68 o 
  -5   1   3     6801.42     6902.65    180.08 o 
  -3   1   3     5672.90     5912.12    201.78 o 
   3   1   3     3133.46     3028.25    131.31 o 
   5   1   3      757.56      718.69     26.15 o 
   7   1   3     1671.52     1684.13     56.48 o 
   9   1   3     1310.04     1311.94     36.45 o 
  11   1   3      151.56      170.25     35.24 o 
 -10   2   3     2545.42     2332.85     87.20 o 
  -8   2   3     1534.46     1568.52     61.70 o 
  -6   2   3     3933.07     3921.42     89.72 o 
  -4   2   3     5893.10     6169.76    199.01 o 
  -2   2   3     2075.03     2038.25    114.52 o 
   0   2   3     3138.84     3158.59    135.36 o 
   2   2   3     5582.69     5478.60    211.05 o 
   4   2   3     1723.12     1633.28     67.15 o 
   6   2   3      865.33      851.12     30.65 o 
   8   2   3     1337.27     1297.57     29.54 o 
  10   2   3      343.97      357.65     36.29 o 
  -9   3   3     2079.44     1895.17     86.74 o 
  -7   3   3     2226.69     2314.05     92.90 o 
  -5   3   3     6120.91     6042.75    286.36 o 
  -3   3   3     4570.76     4364.64    217.62 o 
  -1   3   3     2480.73     2561.36     88.83 o 
   1   3   3     5355.00     5395.50    165.36 o 
   3   3   3     3895.31     3742.27     80.60 o 
   5   3   3     1069.22      963.21     51.06 o 
   7   3   3     1446.52     1464.17     47.02 o 
   9   3   3     1052.26      974.83     28.34 o 
  -8   4   3      867.88      877.03     33.26 o 
  -6   4   3     2620.19     2684.66    115.67 o 
  -4   4   3     4757.86     4764.04    234.98 o 
  -2   4   3     2197.90     2232.04     94.14 o 
   0   4   3     2510.46     2503.41     78.52 o 
   2   4   3     3360.30     3316.34    117.04 o 
   4   4   3      991.61     1063.15     64.94 o 
   6   4   3      693.84      635.26     47.83 o 
   8   4   3     1201.50     1162.12     40.98 o 
  -7   5   3     1323.56     1349.92     50.79 o 
  -5   5   3     2981.00     3062.49    150.38 o 
  -3   5   3     1761.11     1815.52     93.81 o 
  -1   5   3      919.13      990.44     45.09 o 
   1   5   3     2674.55     2696.39     84.57 o 
   3   5   3     2134.43     2105.26     89.55 o 
   5   5   3      543.58      528.09     28.26 o 
   7   5   3      605.68      619.22     34.53 o 
  -6   6   3     1638.66     1621.01     82.15 o 
  -4   6   3     3041.44     2996.96    161.15 o 
  -2   6   3     1666.14     1746.71    101.96 o 
   0   6   3     1691.49     1850.45     91.42 o 
   2   6   3     2020.14     2179.38     82.71 o 
   4   6   3      685.77      667.95     43.33 o 
   6   6   3      514.30      482.06     31.26 o 
  -3   7   3     1076.64     1110.63     58.61 o 
  -1   7   3      625.50      665.00     31.46 o 
   1   7   3     1410.11     1441.31     50.86 o 
   3   7   3     1097.41     1090.61     67.09 o 
  -8   0   4     3295.82     3194.72    110.53 o 
  -6   0   4     2054.64     2133.52     83.47 o 
  -7   1   4     1718.41     1754.30     68.54 o 
  -5   1   4      924.36      956.43     38.60 o 
   7   1   4      254.55      223.95     46.45 o 
  -6   2   4     1300.34     1327.95     62.36 o 
  -4   2   4     1294.78     1418.29    124.53 o 
   6   2   4      614.34      538.43     49.29 o 
  -5   3   4     1108.63     1107.73     62.30 o 
  -3   3   4     2300.19     2513.34    139.33 o 
  -1   3   4     2467.17     2631.16     79.63 o 
   1   3   4      884.79      935.10     81.48 o 
   3   3   4     1133.11     1059.29     81.97 o 
   5   3   4     1210.45     1094.61     63.67 o 
  -4   4   4     1025.57     1062.84     62.26 o 
  -2   4   4     2245.07     2338.89     52.73 o 
   0   4   4     1145.27     1233.12    115.49 o 
   2   4   4      506.07      513.53     65.81 o 
   4   4   4      836.61      772.39     79.91 o 
  -1   5   4     1058.36     1079.51     74.81 o 
   1   5   4      397.19      423.71     58.52 o