#------------------------------------------------------------------------------
#$Date: 2021-01-26 07:40:26 +0200 (Tue, 26 Jan 2021) $
#$Revision: 261216 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108749.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108749
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.41084(4)
_cell_length_b                   4.41084(4)
_cell_length_c                   9.06779(17)
_cod_data_source_file            ne5003NaOEtsup2.hkl
_cod_data_source_block           NaOEt
_shelx_f_squared_multiplier      1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x+1/2, y+1/2, -z '
'-y, x, -z '
'-y+1/2, -x+1/2, z '
'y, -x, -z '
'y+1/2, x+1/2, z '
'-x, -y, 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
0 0 1 54.14 53.03 6136.09 o
0 0 2 3.82 3.94 3328.34 o
0 0 3 33.87 32.95 13737.52 o
0 0 4 13.50 12.18 36728.15 o
0 0 5 1.75 1.64 3686.14 o
0 0 6 0.48 0.48 550.09 o
0 0 7 0.01 0.01 12.01 o
1 0 1 129.93 133.28 68345.82 o
1 0 2 17.78 17.56 6661.67 o
1 0 3 6.17 6.45 10246.79 o
1 0 4 15.14 15.17 16667.09 o
1 0 5 9.59 9.40 15875.59 o
1 0 6 1.35 1.35 1588.91 o
1 0 7 1.43 1.44 2187.92 o
1 1 0 3.05 2.98 622.73 o
1 1 1 19.74 19.54 9569.59 o
1 1 2 65.38 66.98 63937.17 o
1 1 3 55.23 55.04 78471.17 o
1 1 4 46.89 45.15 60763.25 o
1 1 5 50.79 47.51 352316.58 o
1 1 6 55.87 50.46 467892.21 o
1 1 7 39.30 39.27 57935.80 o
2 0 0 101.01 107.52 124988.80 o
2 0 1 139.81 143.85 129486.88 o
2 0 2 55.39 57.19 114672.04 o
2 0 3 25.38 25.42 25972.43 o
2 0 4 23.52 21.94 78208.17 o
2 0 5 7.72 7.59 19633.93 o
2 0 6 0.07 0.07 99.04 o
2 1 0 4.98 4.83 8331.92 o
2 1 1 23.74 23.37 16043.90 o
2 1 2 38.27 35.38 102099.57 o
2 1 3 17.43 17.33 20483.74 o
2 1 4 8.22 8.19 10705.78 o
2 1 5 10.77 10.98 15881.27 o
2 1 6 1.73 1.74 2656.57 o
2 2 0 44.01 46.05 252225.56 o
2 2 1 67.40 71.75 144999.68 o
2 2 2 33.20 33.25 40589.45 o
2 2 3 16.35 16.92 38423.48 o
2 2 4 9.01 8.93 11827.44 o
3 0 1 3.25 3.25 3063.15 o
3 0 2 12.45 12.19 32904.42 o
3 0 3 3.91 3.98 5006.44 o
3 0 4 1.61 1.63 2399.26 o
3 1 0 0.96 0.97 2258.93 o
3 1 1 4.53 4.94 18104.35 o
3 1 2 18.42 18.86 21494.90 o
3 1 3 35.17 34.26 50339.11 o
3 2 0 0.67 0.67 839.05 o
3 2 1 6.24 6.10 11253.08 o