#------------------------------------------------------------------------------
#$Date: 2022-03-15 04:43:58 +0200 (Tue, 15 Mar 2022) $
#$Revision: 273689 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/89/2108929.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_2108929
_cell_angle_alpha                90.000(12)
_cell_angle_beta                 90.000(11)
_cell_angle_gamma                90.000(12)
_cell_length_a                   4.5226(6)
_cell_length_b                   4.5226(7)
_cell_length_c                   4.5226(6)
_exptl_crystal_F_000             86
_reflns_d_resolution_high        ?
_cod_data_source_file            yv5002Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            48.13
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
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 1 891.71 909.07 3.96 o
0 1 1 2348.56 2316.49 4.12 o
1 1 1 1299.18 1286.21 5.05 o
0 0 2 1576.05 1597.47 6.57 o
0 1 2 781.67 801.05 2.18 o
1 1 2 679.11 693.05 2.11 o
0 2 2 530.28 540.91 2.88 o
1 2 2 495.85 515.93 2.02 o
2 2 2 230.35 228.26 1.56 o
0 0 3 270.27 278.69 2.74 o
0 1 3 457.96 461.34 1.48 o
1 1 3 290.67 294.74 1.07 o
0 2 3 192.96 195.43 0.74 o
1 2 3 196.94 199.20 0.47 o
2 2 3 117.62 116.76 0.46 o
0 3 3 127.17 132.15 0.68 o
1 3 3 77.89 77.14 0.31 o
2 3 3 63.31 62.86 0.36 o
3 3 3 21.79 21.39 0.44 o
0 0 4 176.38 170.10 1.04 o
0 1 4 108.10 107.74 0.47 o
1 1 4 101.00 100.16 0.43 o
0 2 4 80.23 78.61 0.32 o
1 2 4 68.06 67.01 0.22 o
2 2 4 40.16 38.02 0.26 o
0 3 4 31.86 31.82 0.24 o
1 3 4 32.06 32.47 0.18 o
2 3 4 19.15 18.02 0.15 o
3 3 4 10.76 10.38 0.21 o
0 4 4 13.09 13.48 0.26 o
1 4 4 11.98 11.66 0.19 o
2 4 4 6.94 6.90 0.17 o
3 4 4 3.63 4.49 0.17 o
4 4 4 1.21 1.03 0.23 o
0 0 5 30.83 30.01 0.54 o
0 1 5 32.06 31.24 0.26 o
1 1 5 28.69 27.79 0.25 o
0 2 5 19.67 18.43 0.20 o
1 2 5 16.08 16.32 0.13 o
2 2 5 11.81 11.70 0.17 o
0 3 5 10.66 10.69 0.18 o
1 3 5 8.32 8.31 0.11 o
2 3 5 5.72 5.36 0.10 o
3 3 5 2.44 2.18 0.12 o
0 4 5 3.63 4.35 0.15 o
1 4 5 2.90 3.68 0.11 o
2 4 5 2.20 2.08 0.09 o
3 4 5 1.05 1.48 0.10 o
4 4 5 0.45 0.55 0.11 o
0 5 5 1.05 1.20 0.18 o
1 5 5 0.99 1.32 0.14 o
2 5 5 0.58 0.54 0.12 o
3 5 5 0.30 0.29 0.12 <
4 5 5 0.11 0.15 0.12 <
5 5 5 0.04 0.01 0.26 <
0 0 6 8.56 8.18 0.35 o
0 1 6 6.05 6.15 0.16 o
1 1 6 5.19 5.14 0.15 o
0 2 6 4.35 4.33 0.13 o
1 2 6 3.81 4.30 0.10 o
2 2 6 2.32 2.25 0.10 o
0 3 6 1.79 1.80 0.11 o
1 3 6 1.91 2.72 0.10 o
2 3 6 1.10 1.07 0.07 o
3 3 6 0.72 0.62 0.10 o
0 4 6 0.84 0.59 0.09 o
1 4 6 0.72 0.64 0.07 o
2 4 6 0.46 0.50 0.08 o
3 4 6 0.22 0.15 0.07 <
4 4 6 0.09 0.17 0.10 <
0 5 6 0.22 0.11 0.11 <
1 5 6 0.20 0.05 0.07 <
2 5 6 0.14 0.25 0.09 <
3 5 6 0.08 -0.05 0.08 <
4 5 6 0.03 0.40 0.09 o
0 6 6 0.07 0.07 0.15 <
1 6 6 0.05 0.21 0.11 <
2 6 6 0.04 -0.14 0.12 <
3 6 6 0.01 -0.05 0.16 <
0 0 7 1.08 0.80 0.19 o
0 1 7 1.02 1.35 0.12 o
1 1 7 1.06 1.29 0.11 o
0 2 7 0.72 0.77 0.10 o
1 2 7 0.52 0.53 0.07 o
2 2 7 0.46 0.39 0.09 o
0 3 7 0.39 0.36 0.09 o
1 3 7 0.32 0.42 0.07 o
2 3 7 0.21 0.11 0.07 <
3 3 7 0.09 0.24 0.10 <
0 4 7 0.14 0.18 0.10 <
1 4 7 0.11 0.02 0.07 <
2 4 7 0.09 0.15 0.07 <
3 4 7 0.04 0.02 0.08 <
4 4 7 0.02 -0.19 0.14 <
0 5 7 0.04 0.08 0.12 <
1 5 7 0.04 -0.11 0.08 <
2 5 7 0.02 0.04 0.08 <
0 0 8 0.18 0.26 0.24 <
0 1 8 0.15 0.08 0.10 <
1 1 8 0.10 -0.15 0.10 <
0 2 8 0.09 0.10 0.10 <
1 2 8 0.10 0.07 0.07 <
2 2 8 0.05 0.10 0.10 <
0 3 8 0.04 0.00 0.10 <
1 3 8 0.04 0.12 0.07 <
2 3 8 0.03 -0.20 0.08 <
0 4 8 0.02 -0.05 0.10 <
1 4 8 0.02 -0.15 0.10 <
0 0 9 0.02 -0.22 0.29 <