#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/53/2205369.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_2205369_Fobs
loop_
_publ_author_name
'Zhang, Xuanjun'
'Li, Dan'
'Zhou, Xiao-Ping'
'Ng, Seik Weng'
_publ_section_title
;
 Dichlorobis(phenothiazine-\k<i>S</i>)palladium(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m603
_journal_page_last               m605
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.985
_cell_angle_beta                 82.297
_cell_angle_gamma                86.860
_cell_length_a                   7.6036
_cell_length_b                   8.8540
_cell_length_c                   8.9240
_exptl_crystal_F_000             288.00
_reflns_d_resolution_high        0.7697
_[local]_cod_data_source_file    su6173Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            149.00
_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'
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
1 0 0 2648.63 2643.22 51.41 o
2 0 0 831.41 1030.29 12.05 o
3 0 0 322.92 310.56 8.72 o
4 0 0 930.32 969.76 12.00 o
5 0 0 11.59 15.28 0.84 o
6 0 0 8.72 9.47 0.83 o
7 0 0 656.17 654.77 17.55 o
8 0 0 167.69 181.18 7.93 o
9 0 0 14.10 14.13 2.82 o
-9 1 0 13.08 12.93 2.59 o
-8 1 0 8.77 9.37 2.10 o
-7 1 0 48.27 50.13 3.65 o
-6 1 0 149.80 147.70 3.11 o
-5 1 0 145.73 139.82 2.80 o
-4 1 0 4205.00 4520.41 51.20 o
-3 1 0 5187.03 5408.29 60.69 o
-2 1 0 237.98 275.14 3.73 o
-1 1 0 17.90 19.06 0.51 o
0 1 0 1480.75 1602.19 22.21 o
1 1 0 10429.17 8925.32 255.58 o
2 1 0 12.88 12.18 1.49 o
3 1 0 198.51 188.34 2.95 o
4 1 0 789.72 809.40 10.25 o
5 1 0 200.85 194.55 3.49 o
6 1 0 57.42 52.11 2.62 o
7 1 0 644.09 631.31 11.59 o
8 1 0 534.88 525.53 15.66 o
9 1 0 53.72 56.33 4.59 o
-9 2 0 0.74 1.04 1.22 o
-8 2 0 78.18 74.82 4.88 o
-7 2 0 604.85 638.87 17.31 o
-6 2 0 263.38 282.46 7.82 o
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-4 2 0 1726.04 1755.21 20.81 o
-3 2 0 5059.88 5393.73 60.63 o
-2 2 0 725.04 720.15 8.81 o
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0 2 0 902.22 889.91 10.46 o
1 2 0 833.02 823.34 9.77 o
2 2 0 36.23 55.82 5.59 o
3 2 0 451.43 434.22 7.18 o
4 2 0 4875.62 5226.10 59.07 o
5 2 0 1293.49 1356.13 16.71 o
6 2 0 107.18 108.09 3.41 o
7 2 0 131.43 137.24 4.21 o
8 2 0 332.11 352.62 11.96 o
9 2 0 6.98 6.87 2.12 o
-9 3 0 36.00 33.75 3.86 o
-8 3 0 62.79 63.01 4.40 o
-7 3 0 597.49 574.59 12.65 o
-6 3 0 939.25 927.95 24.62 o
-5 3 0 30.30 27.80 1.87 o
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-3 3 0 1194.40 1283.56 15.46 o
-2 3 0 1.29 2.98 1.01 o
-1 3 0 5.24 4.71 0.48 o
0 3 0 1977.65 2092.09 23.96 o
1 3 0 4115.43 4265.30 52.32 o
2 3 0 2541.53 2708.38 30.97 o
3 3 0 538.54 506.28 6.84 o
4 3 0 1017.23 987.18 12.44 o
5 3 0 1408.88 1498.17 32.42 o
6 3 0 19.59 19.26 1.57 o
7 3 0 2.04 2.28 0.87 o
8 3 0 65.70 62.79 3.02 o
9 3 0 82.79 95.96 6.00 o
-9 4 0 230.74 245.21 10.29 o
-8 4 0 1.27 3.82 1.43 o
-7 4 0 75.05 73.57 3.05 o
-6 4 0 323.26 314.51 13.39 o
-5 4 0 90.43 93.14 2.82 o
-4 4 0 31.13 34.94 1.52 o
-3 4 0 548.68 539.78 7.40 o
-2 4 0 3138.72 3240.41 37.09 o
-1 4 0 477.11 435.02 5.90 o
0 4 0 1672.16 1752.92 20.46 o
1 4 0 4264.12 4712.87 53.25 o
2 4 0 1083.05 1081.61 13.24 o
3 4 0 91.10 88.07 2.03 o
4 4 0 251.38 238.50 4.18 o
5 4 0 201.10 180.40 10.56 o
6 4 0 38.94 46.05 2.30 o
7 4 0 8.66 11.54 2.22 o
8 4 0 126.56 135.89 4.71 o
9 4 0 116.07 124.48 6.95 o
-8 5 0 52.99 52.47 4.08 o
-7 5 0 4.10 3.66 0.96 o
-6 5 0 162.47 152.72 4.53 o
-5 5 0 300.31 286.89 6.36 o
-4 5 0 406.92 422.68 6.45 o
-3 5 0 808.07 843.39 11.01 o
-2 5 0 1916.98 2011.46 23.82 o
-1 5 0 1178.85 1206.71 14.76 o
0 5 0 357.33 352.70 5.07 o
1 5 0 843.19 844.30 10.75 o
2 5 0 268.71 280.60 4.45 o
3 5 0 1.41 1.90 0.40 o
4 5 0 23.86 25.75 1.57 o
5 5 0 531.68 518.45 9.78 o
6 5 0 273.96 282.11 6.65 o
7 5 0 141.99 142.47 4.60 o
8 5 0 223.53 240.94 6.72 o
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-4 6 0 257.94 249.59 8.62 o
-3 6 0 273.00 270.13 5.96 o
-2 6 0 784.37 808.89 13.57 o
-1 6 0 626.86 638.39 11.11 o
0 6 0 108.94 99.27 4.08 o
1 6 0 25.77 24.52 1.55 o
2 6 0 995.06 1003.83 16.31 o
3 6 0 206.66 205.74 5.04 o
4 6 0 286.28 289.85 11.51 o
5 6 0 668.53 688.91 18.04 o
6 6 0 476.39 494.45 14.60 o
7 6 0 26.78 28.33 3.39 o
8 6 0 33.19 31.46 3.79 o
-7 7 0 97.64 91.68 5.77 o
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-5 7 0 390.02 391.21 12.50 o
-4 7 0 200.38 199.71 7.91 o
-3 7 0 16.88 13.56 1.64 o
-2 7 0 4.14 6.81 1.57 o
-1 7 0 215.30 210.07 5.28 o
0 7 0 886.62 912.29 15.40 o
1 7 0 209.70 203.62 5.23 o
2 7 0 554.04 549.61 13.50 o
3 7 0 944.71 955.93 16.29 o
4 7 0 167.05 168.61 6.52 o
5 7 0 196.79 182.85 7.79 o
6 7 0 164.11 156.15 7.42 o
7 7 0 23.96 22.75 3.34 o
-6 8 0 2.22 0.78 1.18 o
-5 8 0 89.98 87.27 5.41 o
-4 8 0 193.06 184.88 8.00 o
-3 8 0 60.49 59.31 2.83 o
-2 8 0 92.43 91.04 3.53 o
-1 8 0 507.12 497.10 10.03 o
0 8 0 292.41 289.50 6.94 o
1 8 0 668.21 677.23 12.64 o
2 8 0 674.18 664.94 12.59 o
3 8 0 270.30 273.00 6.89 o
4 8 0 2.88 2.82 1.36 o
5 8 0 0.15 2.02 1.41 o
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-5 9 0 23.60 26.80 3.75 o
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-3 9 0 269.80 274.88 10.45 o
-2 9 0 305.98 300.85 12.89 o
-1 9 0 540.95 538.04 11.05 o
0 9 0 293.91 289.97 7.30 o
1 9 0 0.16 0.95 0.82 o
2 9 0 4.14 4.98 1.15 o
3 9 0 115.52 112.96 4.34 o
4 9 0 87.27 82.56 5.68 o
5 9 0 12.27 13.45 3.01 o
-3 10 0 166.69 157.97 8.00 o
-2 10 0 1.42 1.01 0.92 o
-1 10 0 81.80 78.41 3.69 o
0 10 0 183.76 194.35 6.07 o
1 10 0 2.74 4.93 1.24 o
2 10 0 8.76 9.88 3.01 o
3 10 0 124.65 117.69 6.07 o
-2 -10 1 73.22 75.91 3.91 o
-1 -10 1 0.28 0.21 0.99 o
0 -10 1 136.82 141.84 5.19 o
1 -10 1 73.10 72.40 5.70 o
2 -10 1 1.09 1.22 1.02 o
-4 -9 1 63.39 63.61 5.06 o
-3 -9 1 206.90 203.74 6.26 o
-2 -9 1 83.76 80.57 3.71 o
-1 -9 1 16.17 19.88 2.28 o
0 -9 1 12.86 11.06 1.65 o
1 -9 1 335.32 333.78 8.17 o
2 -9 1 97.27 92.93 6.28 o
3 -9 1 47.48 50.74 2.87 o
4 -9 1 451.37 470.12 15.24 o
-6 -8 1 224.40 231.15 10.29 o
-5 -8 1 10.86 12.67 2.68 o
-4 -8 1 27.05 28.21 2.28 o
-3 -8 1 24.90 31.02 2.32 o
-2 -8 1 313.72 307.82 7.54 o
-1 -8 1 77.05 80.65 3.43 o
0 -8 1 297.40 276.99 7.12 o
1 -8 1 1161.47 1157.98 19.56 o
2 -8 1 410.58 395.65 8.79 o
3 -8 1 4.53 6.26 1.24 o
4 -8 1 37.01 38.58 2.48 o
5 -8 1 339.32 324.20 11.70 o
6 -8 1 34.91 33.96 3.93 o
-7 -7 1 0.14 0.23 1.34 o
-6 -7 1 68.02 74.58 5.13 o
-5 -7 1 64.63 67.35 4.71 o
-4 -7 1 64.87 57.29 2.82 o
-3 -7 1 636.93 624.34 11.92 o
-2 -7 1 381.17 389.54 8.39 o
-1 -7 1 274.63 270.02 6.48 o
0 -7 1 266.39 254.26 10.45 o
1 -7 1 1033.23 1011.80 16.95 o
2 -7 1 685.69 711.11 12.88 o
3 -7 1 3.79 5.15 1.08 o
4 -7 1 1.23 2.73 0.87 o
5 -7 1 61.68 66.41 4.45 o
6 -7 1 108.25 120.47 6.33 o
7 -7 1 38.65 43.49 4.22 o
-7 -6 1 1.40 1.46 1.49 o
-6 -6 1 158.45 180.67 7.77 o
-5 -6 1 433.84 444.72 13.33 o
-4 -6 1 96.56 94.96 5.86 o
-3 -6 1 672.35 644.58 11.77 o
-2 -6 1 3144.81 3146.63 55.41 o
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0 -6 1 176.21 168.50 4.45 o
1 -6 1 59.33 56.23 2.37 o
2 -6 1 669.81 679.76 11.97 o
3 -6 1 102.27 104.82 3.44 o
4 -6 1 54.97 57.31 3.48 o
5 -6 1 590.50 586.28 11.05 o
6 -6 1 375.46 376.69 11.99 o
7 -6 1 34.09 33.82 3.46 o
-7 -5 1 98.84 98.98 5.51 o
-6 -5 1 419.97 407.08 12.34 o
-5 -5 1 763.97 771.75 13.37 o
-4 -5 1 219.99 209.99 5.07 o
-3 -5 1 0.45 0.51 0.67 o
-2 -5 1 267.18 250.24 5.55 o
-1 -5 1 962.78 953.71 15.28 o
0 -5 1 0.96 2.27 0.90 o
1 -5 1 135.78 136.27 3.76 o
2 -5 1 956.14 873.04 56.07 o
3 -5 1 941.39 985.57 15.86 o
4 -5 1 210.05 224.60 5.25 o
5 -5 1 676.21 683.83 9.75 o
6 -5 1 458.19 445.87 12.86 o
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7 -4 1 12.92 14.76 2.29 o
8 -4 1 0.82 -0.47 0.96 o
9 -4 1 128.91 130.62 7.13 o
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1 -3 1 232.77 219.51 3.23 o
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3 -3 1 1375.70 1496.37 17.91 o
4 -3 1 8.09 9.40 0.74 o
5 -3 1 0.79 1.43 0.42 o
6 -3 1 245.05 244.42 4.53 o
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8 -3 1 51.71 52.92 4.10 o
9 -3 1 34.01 35.42 3.93 o
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1 -2 1 139.56 128.57 2.04 o
2 -2 1 81.28 63.34 1.39 o
3 -2 1 521.20 499.37 6.65 o
4 -2 1 934.90 969.19 12.14 o
5 -2 1 201.15 199.17 3.64 o
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7 -2 1 741.78 780.47 20.09 o
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9 -2 1 22.36 22.82 3.41 o
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-4 -1 1 1233.03 1203.12 14.70 o
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-1 -1 1 22.89 20.20 0.73 o
0 -1 1 250.69 252.40 4.17 o
1 -1 1 2648.58 2805.26 31.62 o
2 -1 1 616.47 666.67 8.71 o
3 -1 1 2408.63 2538.31 29.05 o
4 -1 1 1619.60 1644.47 19.50 o
5 -1 1 1007.94 1044.75 13.18 o
6 -1 1 381.57 388.30 7.66 o
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9 -1 1 1.58 2.14 1.41 o
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-3 0 1 3141.07 3385.07 38.42 o
-2 0 1 1107.39 1363.53 15.82 o
-1 0 1 2.01 1.04 0.23 o
0 0 1 7173.89 5677.60 79.76 o
1 0 1 5108.26 4708.67 59.05 o
2 0 1 6308.01 6422.39 72.34 o
3 0 1 1830.38 1850.29 21.39 o
4 0 1 2035.62 2058.36 23.97 o
5 0 1 9.82 7.76 0.65 o
6 0 1 3.32 4.15 0.78 o
7 0 1 215.84 215.29 5.39 o
8 0 1 111.24 114.99 6.08 o
9 0 1 21.65 24.06 3.35 o
-9 1 1 111.17 120.52 6.67 o
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-6 1 1 217.77 217.00 5.23 o
-5 1 1 181.78 184.90 9.43 o
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-3 1 1 3815.81 4155.80 51.53 o
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-1 1 1 35.61 38.48 1.12 o
0 1 1 199.92 235.29 2.97 o
1 1 1 5600.32 5204.99 88.06 o
2 1 1 594.09 633.37 7.68 o
3 1 1 201.91 211.93 3.15 o
4 1 1 594.09 597.27 7.80 o
5 1 1 538.39 560.89 7.65 o
6 1 1 0.53 0.83 0.49 o
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8 1 1 287.79 274.21 6.78 o
9 1 1 183.28 175.13 8.27 o
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2 2 1 36.35 43.14 1.00 o
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4 2 1 652.55 628.29 8.19 o
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6 2 1 536.09 533.03 13.16 o
7 2 1 284.47 281.10 6.60 o
8 2 1 480.83 479.90 10.01 o
9 2 1 10.06 11.98 2.64 o
-9 3 1 60.12 57.11 4.64 o
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-4 3 1 431.59 407.61 5.87 o
-3 3 1 455.02 431.37 7.10 o
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-1 3 1 50.49 50.08 1.18 o
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4 3 1 735.40 699.00 9.12 o
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6 3 1 463.67 461.93 9.42 o
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8 3 1 94.35 92.41 3.75 o
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0 4 1 230.62 201.94 3.17 o
1 4 1 2024.53 1970.97 22.90 o
2 4 1 3167.20 3299.71 37.69 o
3 4 1 2087.24 2446.08 28.49 o
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6 5 1 154.37 155.06 4.58 o
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-1 6 1 1818.12 1902.56 31.20 o
0 6 1 0.84 1.01 0.75 o
1 6 1 28.96 28.15 1.13 o
2 6 1 421.21 422.94 6.30 o
3 6 1 201.14 212.89 4.34 o
4 6 1 28.86 29.27 1.68 o
5 6 1 450.78 429.47 8.71 o
6 6 1 612.75 631.08 17.46 o
7 6 1 45.60 48.93 2.75 o
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5 6 10 175.76 185.73 8.82 o
-2 7 10 191.56 182.55 6.09 o
-1 7 10 284.87 293.43 7.85 o
0 7 10 15.14 17.61 2.95 o
1 7 10 156.22 157.75 7.80 o
2 7 10 224.34 233.39 9.91 o
3 7 10 48.39 44.15 4.73 o
4 7 10 1.20 3.16 2.07 o
0 8 10 34.73 35.82 3.93 o
1 8 10 8.61 10.05 2.40 o
3 8 10 48.55 49.95 5.21 o
0 1 11 71.72 69.51 4.94 o
-1 2 11 0.06 0.14 1.41 o
4 2 11 101.66 99.35 5.75 o
-1 3 11 1.50 1.06 0.98 o
0 3 11 59.92 59.96 4.40 o
1 3 11 242.41 256.61 9.89 o
2 3 11 75.93 79.83 5.44 o
3 3 11 44.88 44.89 4.38 o
4 3 11 75.27 86.07 5.81 o
-1 4 11 71.85 78.86 7.04 o
0 4 11 20.91 22.77 3.13 o
1 4 11 104.36 105.14 6.05 o
2 4 11 52.51 55.98 4.66 o
3 4 11 1.13 0.75 1.41 o
4 4 11 43.97 45.45 4.66 o
-1 5 11 28.89 30.68 2.61 o
0 5 11 16.01 16.70 2.85 o
1 5 11 60.56 70.67 5.04 o
3 5 11 3.76 3.95 1.79 o
4 5 11 20.18 21.03 3.68 o
0 6 11 1.89 1.67 1.51 o
1 6 11 68.50 70.55 5.23 o
3 6 11 40.38 41.14 4.74 o