#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/96/2209646.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_2209646_Fobs
loop_
_publ_author_name
'Zhang, Gui-Ling'
'Li, Yan-Tuan'
'Wu, Zhi-Yong'
'Song, Yu-Lan'
_publ_section_title
;
 Sodium perchlorate in the space group <i>Pnma</i>
;
_journal_coeditor_code           SG2022
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i150
_journal_page_last               i151
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.2362
_cell_length_b                   5.8087
_cell_length_c                   7.4444
_exptl_crystal_F_000             240.00
_reflns_d_resolution_high        0.8401
_[local]_cod_data_source_file    sg2022Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 041007b in Pnma'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            81.73
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-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
2 0 0 1983.04 2431.85 50.34 o
4 0 0 801.07 834.81 19.15 o
6 0 0 1317.25 1420.91 22.44 o
8 0 0 1648.65 1907.87 30.28 o
10 0 0 12.97 7.33 2.08 o
2 1 0 5883.44 5824.81 121.78 o
4 1 0 17.15 2.89 0.74 o
6 1 0 473.04 433.65 6.81 o
8 1 0 17.55 13.68 1.51 o
10 1 0 199.41 254.35 5.83 o
0 2 0 6679.59 5916.10 122.69 o
2 2 0 21.19 12.36 2.22 o
4 2 0 0.16 -0.39 0.39 o
6 2 0 4.76 6.08 1.21 o
8 2 0 570.76 655.29 10.41 o
10 2 0 37.93 26.11 3.91 o
2 3 0 336.60 248.02 4.59 o
4 3 0 212.11 172.54 4.90 o
6 3 0 179.98 198.31 5.74 o
8 3 0 5.02 5.44 1.45 o
0 4 0 3580.48 3606.49 58.22 o
2 4 0 197.93 215.05 4.79 o
4 4 0 55.35 46.83 2.07 o
6 4 0 257.12 262.81 8.84 o
8 4 0 387.73 509.00 63.76 o
2 5 0 849.09 938.61 13.05 o
4 5 0 299.87 240.91 5.57 o
6 5 0 100.07 120.74 7.13 o
0 6 0 648.62 704.14 20.03 o
2 6 0 97.89 61.81 3.23 o
4 6 0 9.29 4.15 2.75 o
1 0 1 734.01 860.66 27.39 o
2 0 1 2846.61 3479.31 117.17 o
3 0 1 14.90 2.38 0.49 o
4 0 1 4570.33 4158.00 49.23 o
5 0 1 1.18 0.13 0.46 o
6 0 1 151.19 170.86 3.59 o
7 0 1 120.63 118.51 3.10 o
8 0 1 152.55 161.72 3.97 o
9 0 1 55.47 40.67 1.77 o
10 0 1 199.73 146.07 4.72 o
0 1 1 4513.66 5339.04 136.39 o
1 1 1 18.20 33.15 0.54 o
2 1 1 3318.01 3177.08 46.99 o
3 1 1 39.88 65.58 1.11 o
4 1 1 58.73 67.94 1.25 o
5 1 1 2.19 10.04 0.68 o
6 1 1 1331.92 1313.55 24.28 o
7 1 1 8.21 5.78 0.65 o
8 1 1 431.03 402.33 4.65 o
9 1 1 7.21 3.31 0.73 o
10 1 1 25.71 34.89 2.06 o
1 2 1 1615.62 1966.82 15.07 o
2 2 1 166.44 130.34 1.56 o
3 2 1 13.90 2.64 0.26 o
4 2 1 165.41 91.38 1.67 o
5 2 1 115.76 91.52 1.51 o
6 2 1 63.70 62.62 1.33 o
7 2 1 249.46 236.54 5.61 o
8 2 1 1.00 -0.70 0.70 o
9 2 1 51.13 39.34 2.04 o
10 2 1 26.55 16.93 1.58 o
0 3 1 84.28 134.01 2.14 o
1 3 1 83.32 130.52 1.60 o
2 3 1 322.56 277.31 3.10 o
3 3 1 63.64 66.38 1.26 o
4 3 1 8.31 7.39 0.61 o
5 3 1 18.33 18.62 1.53 o
6 3 1 159.13 184.99 5.89 o
7 3 1 1.40 -0.52 0.70 o
8 3 1 140.62 108.15 4.05 o
9 3 1 21.73 13.60 1.86 o
1 4 1 187.96 212.23 2.54 o
2 4 1 281.06 320.47 3.90 o
3 4 1 1.60 0.63 0.47 o
4 4 1 553.55 617.76 17.58 o
5 4 1 7.22 10.26 0.97 o
6 4 1 66.37 54.46 2.70 o
7 4 1 61.31 54.62 3.44 o
8 4 1 22.61 34.47 3.22 o
0 5 1 1055.28 1071.21 16.56 o
1 5 1 3.93 1.38 0.67 o
2 5 1 418.89 452.36 6.55 o
3 5 1 0.34 -0.52 0.52 o
4 5 1 36.71 36.21 1.70 o
5 5 1 0.49 1.60 0.77 o
6 5 1 367.79 445.18 15.09 o
7 5 1 5.33 0.58 1.30 o
1 6 1 38.98 29.74 1.50 o
2 6 1 123.22 86.98 2.59 o
3 6 1 0.08 0.37 0.85 o
4 6 1 172.47 200.62 5.98 o
5 6 1 1.46 4.92 1.01 o
0 0 2 5297.58 5090.05 53.65 o
1 0 2 973.74 831.21 8.25 o
2 0 2 1468.95 1796.77 33.83 o
3 0 2 548.86 608.31 19.23 o
4 0 2 213.95 197.10 5.51 o
5 0 2 86.10 75.02 2.05 o
6 0 2 857.29 964.14 13.19 o
7 0 2 192.62 192.82 4.16 o
8 0 2 247.93 271.65 17.91 o
9 0 2 11.41 27.56 2.73 o
10 0 2 6.26 4.42 1.30 o
1 1 2 3236.45 3320.25 49.08 o
2 1 2 1292.48 1168.93 10.28 o
3 1 2 316.88 221.14 2.42 o
4 1 2 1309.66 1569.32 30.96 o
5 1 2 5.86 1.60 0.62 o
6 1 2 161.83 162.31 2.84 o
7 1 2 415.29 409.51 5.47 o
8 1 2 22.02 19.59 2.23 o
9 1 2 140.91 161.03 3.77 o
10 1 2 87.34 100.45 3.10 o
0 2 2 3.43 10.66 0.72 o
1 2 2 1740.74 1643.93 11.76 o
2 2 2 23.67 26.97 0.60 o
3 2 2 278.04 306.55 3.51 o
4 2 2 5.80 7.02 0.77 o
5 2 2 48.10 44.61 1.81 o
6 2 2 26.58 32.07 1.49 o
7 2 2 39.83 51.16 2.02 o
8 2 2 42.58 54.49 1.82 o
9 2 2 97.79 122.11 4.24 o
10 2 2 18.36 17.05 1.66 o
1 3 2 2375.52 2554.60 18.87 o
2 3 2 35.59 20.33 0.74 o
3 3 2 45.71 27.12 0.84 o
4 3 2 154.24 169.81 4.89 o
5 3 2 84.84 72.49 1.73 o
6 3 2 61.46 65.07 2.15 o
7 3 2 451.61 455.67 11.33 o
8 3 2 0.08 0.43 0.79 o
9 3 2 95.66 111.85 3.81 o
0 4 2 451.99 446.33 15.08 o
1 4 2 193.05 189.13 2.95 o
2 4 2 194.11 198.70 3.47 o
3 4 2 18.78 22.84 2.01 o
4 4 2 16.95 17.03 1.15 o
5 4 2 16.97 13.52 1.13 o
6 4 2 184.01 167.94 5.59 o
7 4 2 25.42 44.23 2.03 o
8 4 2 73.64 87.23 3.00 o
1 5 2 120.48 129.03 2.63 o
2 5 2 308.75 324.29 5.31 o
3 5 2 1.15 5.07 0.95 o
4 5 2 425.21 389.41 11.52 o
5 5 2 0.05 3.21 0.92 o
6 5 2 40.75 46.19 1.82 o
7 5 2 51.45 53.79 4.02 o
0 6 2 119.88 131.40 7.13 o
1 6 2 29.28 47.02 1.95 o
2 6 2 66.49 50.10 2.03 o
3 6 2 21.31 15.60 1.96 o
4 6 2 2.36 2.77 1.05 o
1 0 3 0.42 0.14 0.23 o
2 0 3 762.60 876.60 9.02 o
3 0 3 870.63 678.03 7.93 o
4 0 3 2339.46 2640.14 32.17 o
5 0 3 202.55 174.12 3.51 o
6 0 3 49.87 55.49 2.63 o
7 0 3 136.72 142.98 4.64 o
8 0 3 38.51 37.98 3.91 o
9 0 3 47.83 35.72 4.27 o
10 0 3 63.60 62.04 3.50 o
0 1 3 80.84 95.66 1.41 o
1 1 3 295.08 194.16 1.91 o
2 1 3 241.94 233.10 2.65 o
3 1 3 480.17 438.73 4.11 o
4 1 3 2.83 2.97 0.52 o
5 1 3 540.98 509.03 6.13 o
6 1 3 108.67 114.49 2.37 o
7 1 3 1.57 3.28 0.75 o
8 1 3 1.12 -0.31 0.75 o
9 1 3 12.94 3.17 1.06 o
10 1 3 5.25 4.99 1.22 o
1 2 3 1612.51 1865.01 14.86 o
2 2 3 0.04 2.59 1.74 o
3 2 3 579.91 499.49 4.63 o
4 2 3 447.92 450.68 10.51 o
5 2 3 940.04 922.18 10.36 o
6 2 3 18.12 17.32 1.74 o
7 2 3 584.22 557.81 12.55 o
8 2 3 0.01 -0.55 0.67 o
9 2 3 64.11 42.91 2.53 o
0 3 3 163.65 186.11 2.84 o
1 3 3 14.50 35.89 0.93 o
2 3 3 27.74 24.04 0.96 o
3 3 3 1159.45 1198.09 12.76 o
4 3 3 2.50 2.20 0.56 o
5 3 3 594.58 633.91 12.04 o
6 3 3 10.98 13.21 2.12 o
7 3 3 6.33 20.75 2.22 o
8 3 3 0.12 -0.91 0.91 o
9 3 3 66.98 41.49 2.56 o
1 4 3 192.35 200.19 3.21 o
2 4 3 95.18 89.66 1.84 o
3 4 3 129.73 147.87 3.25 o
4 4 3 371.08 385.95 8.11 o
5 4 3 120.56 154.65 3.93 o
6 4 3 14.48 16.90 2.01 o
7 4 3 145.43 131.93 9.09 o
8 4 3 7.69 5.60 1.24 o
0 5 3 52.37 49.28 3.02 o
1 5 3 3.20 5.47 0.93 o
2 5 3 78.87 72.72 2.28 o
3 5 3 40.43 46.99 1.90 o
4 5 3 5.23 4.49 1.01 o
5 5 3 69.76 94.71 5.69 o
6 5 3 63.58 63.56 2.95 o
1 6 3 79.98 62.03 2.65 o
2 6 3 17.90 12.96 1.57 o
3 6 3 20.78 41.31 2.21 o
4 6 3 74.47 64.16 4.01 o
0 0 4 97.78 70.76 1.88 o
1 0 4 10.95 0.05 0.29 o
2 0 4 35.10 31.59 0.95 o
3 0 4 166.44 185.19 2.98 o
4 0 4 0.12 -0.05 0.54 o
5 0 4 242.27 270.24 6.49 o
6 0 4 1.02 1.66 1.05 o
7 0 4 42.34 49.10 2.83 o
8 0 4 1.49 1.88 1.36 o
9 0 4 5.68 14.05 4.43 o
1 1 4 323.84 255.77 2.19 o
2 1 4 28.25 37.54 0.90 o
3 1 4 30.33 59.29 1.19 o
4 1 4 220.78 236.45 3.03 o
5 1 4 102.73 115.33 2.79 o
6 1 4 0.38 -0.45 0.65 o
7 1 4 151.13 153.28 3.51 o
8 1 4 1.54 1.56 0.89 o
9 1 4 52.68 66.77 3.41 o
0 2 4 246.17 247.88 4.61 o
1 2 4 449.32 388.22 3.69 o
2 2 4 0.02 0.48 0.45 o
3 2 4 1889.85 2001.82 14.70 o
4 2 4 3.56 2.86 0.62 o
5 2 4 733.94 727.74 8.23 o
6 2 4 10.05 2.84 0.79 o
7 2 4 0.03 2.36 0.89 o
8 2 4 6.92 9.79 1.34 o
9 2 4 108.30 119.50 3.44 o
1 3 4 961.66 998.30 8.98 o
2 3 4 3.84 0.94 0.44 o
3 3 4 48.97 42.82 1.29 o
4 3 4 53.61 59.15 1.76 o
5 3 4 320.67 280.60 5.86 o
6 3 4 0.08 -0.16 0.62 o
7 3 4 311.39 286.62 11.69 o
8 3 4 0.14 -1.02 1.02 o
0 4 4 1.49 2.10 0.89 o
1 4 4 34.04 41.76 1.45 o
2 4 4 6.35 7.55 1.12 o
3 4 4 297.97 292.18 4.40 o
4 4 4 0.30 -0.15 0.62 o
5 4 4 205.18 175.50 4.96 o
6 4 4 0.75 3.58 0.99 o
7 4 4 4.83 16.21 2.71 o
1 5 4 32.13 40.56 2.32 o
2 5 4 12.27 3.55 1.09 o
3 5 4 21.59 9.86 1.23 o
4 5 4 27.31 36.90 1.89 o
5 5 4 11.29 3.02 1.02 o
0 6 4 1.30 6.51 3.49 o
1 6 4 10.98 20.49 2.11 o
2 6 4 0.14 -0.01 1.02 o
1 0 5 9.28 4.84 0.56 o
2 0 5 41.34 36.41 1.41 o
3 0 5 130.31 112.40 2.62 o
4 0 5 343.91 335.08 13.48 o
5 0 5 17.21 13.50 1.88 o
6 0 5 0.03 -0.24 0.99 o
7 0 5 14.58 19.39 2.26 o
8 0 5 2.35 3.77 1.49 o
9 0 5 35.37 31.06 3.11 o
0 1 5 60.36 47.29 1.20 o
1 1 5 5.66 12.96 0.75 o
2 1 5 212.56 196.74 2.50 o
3 1 5 741.08 780.69 10.94 o
4 1 5 2.09 0.45 0.50 o
5 1 5 406.45 424.35 9.02 o
6 1 5 134.28 146.30 3.47 o
7 1 5 1.56 -0.21 0.76 o
8 1 5 0.00 3.10 1.09 o
1 2 5 620.48 655.21 6.91 o
2 2 5 39.73 33.96 0.91 o
3 2 5 120.45 122.26 1.99 o
4 2 5 180.15 205.29 5.09 o
5 2 5 322.74 329.74 7.60 o
6 2 5 0.21 -0.79 0.79 o
7 2 5 220.13 202.68 7.58 o
8 2 5 0.24 -0.10 0.93 o
0 3 5 34.59 37.11 1.90 o
1 3 5 100.89 95.75 1.96 o
2 3 5 62.87 71.25 1.62 o
3 3 5 1033.97 1052.33 8.90 o
4 3 5 0.00 -0.54 0.54 o
5 3 5 433.50 446.68 11.56 o
6 3 5 42.04 63.89 3.62 o
7 3 5 0.31 0.77 1.22 o
1 4 5 84.39 79.84 2.35 o
2 4 5 4.77 6.26 0.88 o
3 4 5 40.68 49.41 2.11 o
4 4 5 52.41 81.57 2.06 o
5 4 5 39.64 47.89 1.98 o
6 4 5 0.25 0.35 0.92 o
0 5 5 1.35 0.07 0.94 o
1 5 5 1.46 -0.37 0.77 o
2 5 5 23.46 35.11 2.82 o
3 5 5 72.17 66.91 2.72 o
4 5 5 1.02 0.61 0.90 o
0 0 6 269.86 273.49 9.49 o
1 0 6 62.20 54.01 2.71 o
2 0 6 86.34 75.98 2.25 o
3 0 6 76.98 85.75 2.84 o
4 0 6 29.72 32.88 2.53 o
5 0 6 44.55 50.51 2.34 o
6 0 6 93.56 56.55 6.26 o
7 0 6 23.73 21.68 2.59 o
8 0 6 24.52 43.44 3.32 o
1 1 6 171.52 171.48 2.57 o
2 1 6 195.83 215.93 2.97 o
3 1 6 0.41 0.80 0.55 o
4 1 6 256.25 214.13 3.27 o
5 1 6 3.09 2.99 0.83 o
6 1 6 28.55 36.64 1.96 o
7 1 6 54.29 56.21 2.31 o
0 2 6 31.00 44.61 2.53 o
1 2 6 246.77 237.70 3.16 o
2 2 6 21.67 16.82 0.93 o
3 2 6 578.07 570.55 6.83 o
4 2 6 2.42 2.16 0.75 o
5 2 6 182.42 183.08 3.74 o
6 2 6 19.42 4.34 1.14 o
7 2 6 2.20 -0.03 0.94 o
1 3 6 350.52 350.91 6.80 o
2 3 6 31.40 45.80 1.36 o
3 3 6 3.37 3.02 0.69 o
4 3 6 81.28 47.75 2.11 o
5 3 6 44.40 40.65 1.79 o
6 3 6 14.72 23.99 1.82 o
0 4 6 43.08 76.37 3.11 o
1 4 6 39.86 34.39 1.61 o
2 4 6 28.88 13.64 1.16 o
3 4 6 92.04 84.93 2.42 o
4 4 6 3.55 4.72 0.97 o
5 4 6 46.07 42.54 2.24 o
1 5 6 22.28 21.20 1.59 o
1 0 7 46.47 59.27 3.70 o
2 0 7 341.19 321.29 8.13 o
3 0 7 3.60 7.59 1.38 o
4 0 7 447.47 506.90 11.00 o
5 0 7 13.42 20.31 2.06 o
6 0 7 39.61 29.79 3.37 o
0 1 7 183.98 155.46 5.17 o
1 1 7 84.16 99.15 2.50 o
2 1 7 107.89 127.42 2.70 o
3 1 7 27.63 27.96 1.80 o
4 1 7 8.55 6.12 0.94 o
5 1 7 13.63 12.44 1.72 o
6 1 7 67.75 88.09 2.98 o
1 2 7 234.31 251.96 3.50 o
2 2 7 71.30 52.73 1.82 o
3 2 7 0.27 1.47 0.78 o
4 2 7 135.68 171.75 3.46 o
5 2 7 7.36 1.10 1.11 o
0 3 7 34.98 18.71 2.72 o
1 3 7 75.91 88.42 2.18 o
2 3 7 27.79 38.61 1.57 o
3 3 7 75.02 58.98 2.01 o
4 3 7 0.12 0.31 0.81 o
1 4 7 34.80 38.97 1.73 o
2 4 7 87.61 62.10 1.94 o
0 0 8 608.46 681.63 20.07 o
1 0 8 1.35 6.50 1.79 o
2 0 8 84.85 74.21 3.81 o
3 0 8 2.35 0.42 1.35 o
4 0 8 12.23 13.78 2.40 o
1 1 8 11.00 6.55 1.24 o
2 1 8 257.32 288.05 5.81 o
3 1 8 5.24 17.86 1.58 o
4 1 8 119.99 105.42 3.36 o
0 2 8 162.16 187.72 8.11 o
1 2 8 1.91 0.16 1.11 o
2 2 8 16.08 14.67 2.33 o
3 2 8 8.35 10.08 1.49 o