data_2105813
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.43530(10)
_cell_length_b                   5.43530(10)
_cell_length_c                   10.8464(3)
_exptl_crystal_F_000             404
_reflns_d_resolution_high        0.5871
_cod_data_source_file            dk5022Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            93.64
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x, y, -z'
'x, -y, -z'
'-y, -x, z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
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
_jana_refln_twin_domain
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3 3 0 490.17 573.27 5.73 o 1
2 4 0 5458.69 5934.04 37.04 o 1
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4 4 0 19187.70 17174.30 164.21 o 1
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5 5 0 245.29 205.40 10.34 o 1
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1 7 0 223.96 234.48 6.85 o 1
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3 6 1 264.26 253.68 7.34 o 1
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5 6 1 403.79 372.85 12.62 o 1
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0 7 1 565.65 580.52 10.53 o 1
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4 7 1 391.57 394.16 13.05 o 1
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-1 8 1 232.12 240.05 8.10 o 1
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1 8 1 250.84 247.24 7.37 o 1
3 8 1 269.59 291.79 10.54 o 1
0 9 1 71.72 70.96 4.46 o 1
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2 9 1 305.62 364.42 27.72 o 1
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3 5 2 9259.42 8827.52 64.05 o 1
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-2 6 2 220.15 225.42 6.77 o 1
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-2 3 3 903.62 854.83 4.72 o 1
-3 0 3 478.94 555.18 3.50 o -2
0 3 3 478.94 555.18 3.50 o 1
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1 4 3 706.88 691.66 4.94 o 1
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2 5 3 229.44 237.18 5.65 o 1
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4 7 3 112.28 87.61 6.37 o 1
-3 8 3 165.42 168.15 8.94 o 1
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-1 8 3 274.06 274.48 8.63 o 1
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3 8 3 160.28 151.85 7.69 o 1
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0 9 3 329.64 358.99 19.71 o 1
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1 5 4 349.88 335.99 6.67 o 1
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5 7 4 147.77 137.70 9.56 o 1
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