#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/34/2223474.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_2223474_Fobs
loop_
_publ_author_name
'Niu, Cao-Yuan'
'Zheng, Xian-Fu'
'Dang, Yu-Li'
_publ_section_title
;
 Dichlorido(2,9-dipropoxy-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')cadmium(II)
;
_journal_coeditor_code           LH2892
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1245
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   31.3159
_cell_length_b                   31.3159
_cell_length_c                   8.1662
_exptl_crystal_F_000             3840.00
_reflns_d_resolution_high        0.8260
_[local]_cod_data_source_file    lh2892Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in I4(1)/a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            807.30
_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'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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 4 0 190512.91 202877.42 2197.96 o
0 4 0 18213.29 12216.81 520.85 o
2 4 0 282597.00 311001.06 5724.39 o
4 4 0 3418.87 4331.43 249.25 o
-4 6 0 38719.94 48754.67 660.22 o
-2 6 0 197.33 98.93 72.67 o
0 6 0 4160.25 3789.76 136.46 o
2 6 0 67173.22 74245.61 1185.89 o
4 6 0 55.45 -32.59 93.09 o
6 6 0 101046.97 105141.38 1484.80 o
-6 8 0 25679.67 25387.75 455.81 o
-4 8 0 95.85 406.67 75.19 o
-2 8 0 363368.09 340066.63 3292.94 o
0 8 0 205941.39 210434.98 2104.49 o
2 8 0 205961.50 222536.14 3532.18 o
4 8 0 67060.82 59677.64 943.17 o
6 8 0 1255.04 827.41 147.56 o
8 8 0 4985.84 5360.27 266.81 o
-8 10 0 82697.31 86525.75 1010.14 o
-6 10 0 45691.54 49509.02 754.43 o
-4 10 0 20466.79 15347.94 284.33 o
-2 10 0 8803.93 10407.08 253.83 o
0 10 0 6601.31 7892.91 225.63 o
2 10 0 172.37 -150.18 100.12 o
4 10 0 86651.53 83898.35 1458.45 o
6 10 0 4892.14 4316.26 297.74 o
8 10 0 106808.52 90880.74 1553.84 o
10 10 0 2570.13 2001.82 212.90 o
-10 12 0 95.55 436.92 96.11 o
-8 12 0 12214.99 11624.02 327.01 o
-6 12 0 1047.99 1599.94 159.43 o
-4 12 0 137961.53 131827.94 1454.36 o
-2 12 0 512.74 652.09 111.92 o
0 12 0 387380.44 365476.88 3616.28 o
2 12 0 55439.71 59906.53 1011.45 o
4 12 0 106239.83 111477.91 2299.52 o
6 12 0 8294.99 8063.90 335.00 o
8 12 0 32852.73 30998.63 727.15 o
10 12 0 20901.99 21979.86 592.89 o
12 12 0 110782.73 108048.84 1470.34 o
-12 14 0 11388.24 11789.91 381.11 o
-10 14 0 780.00 905.83 114.94 o
-8 14 0 15500.38 14107.92 304.69 o
-6 14 0 178897.45 180469.48 1785.99 o
-4 14 0 53063.54 58019.04 790.84 o
-2 14 0 183950.59 180959.78 1953.33 o
0 14 0 14219.68 16060.22 397.37 o
2 14 0 56638.35 56151.41 1003.24 o
4 14 0 40985.68 42490.20 1373.20 o
6 14 0 175156.05 178750.56 2526.78 o
8 14 0 10857.98 10003.67 426.83 o
10 14 0 35813.51 36947.18 1389.03 o
12 14 0 6158.00 6395.94 412.14 o
14 14 0 50691.47 50007.02 1500.03 o
-14 16 0 26905.55 26046.02 611.06 o
-12 16 0 315.62 182.87 112.64 o
-10 16 0 126187.35 120172.84 1314.98 o
-8 16 0 5887.36 7153.38 239.26 o
-6 16 0 36361.46 38177.12 619.09 o
-4 16 0 247.77 428.53 132.50 o
-2 16 0 400909.16 400640.97 4484.02 o
0 16 0 15769.01 19158.36 508.79 o
2 16 0 301907.69 293984.31 3917.97 o
4 16 0 1833.77 2320.52 232.27 o
6 16 0 18497.60 18804.95 556.12 o
8 16 0 34929.31 36700.28 1889.21 o
10 16 0 71354.45 70914.79 1501.17 o
12 16 0 30.06 172.38 158.44 o
14 16 0 77440.78 75501.09 1489.72 o
16 16 0 534.91 887.15 259.02 o
-16 18 0 10074.07 9958.37 372.67 o
-14 18 0 104518.98 101926.69 1364.93 o
-12 18 0 2785.35 2697.48 215.44 o
-10 18 0 2347.44 2656.64 212.51 o
-8 18 0 771.80 731.62 155.67 o
-6 18 0 58628.75 56142.12 954.77 o
-4 18 0 42362.08 43850.96 971.21 o
-2 18 0 28370.51 27966.43 720.77 o
0 18 0 1921.64 2648.19 347.17 o
2 18 0 9626.39 9258.02 403.93 o
4 18 0 4720.04 4222.65 431.32 o
6 18 0 240509.67 241635.00 4412.88 o
8 18 0 6109.51 6140.41 369.65 o
10 18 0 16070.27 15833.67 762.28 o
12 18 0 432.13 567.04 208.83 o
14 18 0 53326.43 50729.83 1126.83 o
16 18 0 33669.91 34629.49 768.15 o
18 18 0 82352.13 82927.40 1359.36 o
-18 20 0 14311.92 13671.17 535.47 o
-16 20 0 87.94 97.80 158.43 o
-14 20 0 7170.02 8300.13 357.05 o
-12 20 0 53386.79 54401.19 1270.81 o
-10 20 0 47948.56 48434.23 915.64 o
-8 20 0 32390.97 32268.08 712.28 o
-6 20 0 8163.85 8098.04 469.48 o
-4 20 0 14334.46 14526.92 460.51 o
-2 20 0 35644.86 34113.32 714.43 o
0 20 0 87902.61 84363.74 1292.98 o
2 20 0 88592.78 88693.42 1548.53 o
4 20 0 44024.29 43631.44 1958.50 o
6 20 0 485.38 424.86 186.29 o
8 20 0 286.98 178.18 255.57 o
10 20 0 46284.30 49535.87 1098.02 o
12 20 0 61267.05 61408.17 2715.41 o
14 20 0 10446.70 10509.35 521.38 o
16 20 0 1088.88 437.38 235.03 o
18 20 0 2.67 197.36 204.31 o
20 20 0 16311.05 16664.65 596.37 o
-20 22 0 14833.76 15884.01 743.86 o
-18 22 0 189.72 403.81 197.73 o
-16 22 0 77791.88 78888.18 1592.66 o
-14 22 0 2298.39 1606.19 253.85 o
-12 22 0 15002.02 15793.12 514.62 o
-10 22 0 693.93 545.73 177.86 o
-8 22 0 13434.20 12411.19 461.44 o
-6 22 0 4660.75 4569.95 409.85 o
-4 22 0 72892.06 73663.18 1216.77 o
-2 22 0 6667.61 6925.31 348.97 o
0 22 0 10.14 -32.03 147.86 o
2 22 0 1073.82 622.60 377.03 o
4 22 0 77386.14 74474.66 1418.31 o
6 22 0 9481.16 10030.78 648.53 o
8 22 0 76536.45 81066.63 2052.38 o
10 22 0 1626.14 1371.54 260.59 o
12 22 0 1175.41 1569.95 360.94 o
14 22 0 16699.45 18330.38 916.16 o
16 22 0 9028.75 10650.92 564.65 o
18 22 0 3247.56 4817.15 612.42 o
20 22 0 8986.02 7783.33 531.69 o
22 22 0 839.84 562.47 217.25 o
-22 24 0 1369.75 1282.80 275.67 o
-20 24 0 8309.10 8496.09 493.67 o
-18 24 0 5465.96 5577.08 418.97 o
-16 24 0 1119.60 1346.59 251.12 o
-14 24 0 4758.85 4889.96 565.20 o
-12 24 0 34597.77 38169.33 1039.26 o
-10 24 0 4467.79 4179.21 380.24 o
-8 24 0 18585.69 19975.65 590.52 o
-6 24 0 1825.58 1784.27 256.16 o
-4 24 0 10090.34 10653.25 501.73 o
-2 24 0 14914.37 15082.50 603.12 o
0 24 0 53265.82 51397.85 1138.96 o
2 24 0 6493.98 7301.78 440.46 o
4 24 0 20579.34 20593.48 1062.15 o
6 24 0 2091.80 2356.94 348.80 o
8 24 0 5010.08 4984.11 404.29 o
10 24 0 1171.18 865.11 245.23 o
12 24 0 13737.62 14750.68 632.09 o
14 24 0 388.46 44.60 202.25 o
16 24 0 3651.00 3184.32 410.11 o
18 24 0 551.47 363.13 227.11 o
20 24 0 10200.52 9460.29 641.14 o
22 24 0 7317.94 8044.21 592.55 o
24 24 0 5630.21 4835.37 569.37 o
-24 26 0 2399.83 1795.07 539.69 o
-22 26 0 134.66 351.98 354.14 o
-20 26 0 1066.76 1079.36 264.42 o
-18 26 0 6679.47 7736.09 621.00 o
-16 26 0 22780.75 21213.74 815.82 o
-14 26 0 14501.38 12832.78 653.92 o
-12 26 0 3530.17 3625.62 405.40 o
-10 26 0 5086.54 4697.83 463.71 o
-8 26 0 2322.64 2095.87 523.29 o
-6 26 0 12413.22 12691.81 503.73 o
-4 26 0 16158.10 15666.79 546.97 o
-2 26 0 845.47 965.20 219.15 o
0 26 0 8.23 134.55 193.32 o
2 26 0 12104.40 13819.14 601.26 o
4 26 0 5920.75 6428.78 448.88 o
6 26 0 27180.71 28336.39 851.65 o
8 26 0 712.24 428.11 272.68 o
10 26 0 8274.26 8376.54 517.16 o
12 26 0 1924.02 1794.61 344.32 o
14 26 0 6795.81 7444.11 537.54 o
16 26 0 2688.45 1689.11 559.06 o
18 26 0 15745.45 14220.51 699.49 o
20 26 0 37.14 -145.40 220.03 o
22 26 0 1190.34 1410.48 541.34 o
24 26 0 1685.19 2078.91 568.11 o
26 26 0 5457.97 4802.23 675.02 o
-24 28 0 231.40 92.48 322.95 o
-22 28 0 9201.78 8214.12 629.14 o
-20 28 0 1415.72 877.16 311.43 o
-18 28 0 1778.98 1484.31 327.51 o
-16 28 0 8.97 8.89 232.43 o
-14 28 0 10189.68 10481.30 629.30 o
-12 28 0 7.43 170.50 247.24 o
-10 28 0 27239.71 26399.79 1255.73 o
-8 28 0 274.07 55.99 215.23 o
-6 28 0 72.88 34.39 183.02 o
-4 28 0 33.30 -48.70 167.05 o
-2 28 0 17983.51 20062.06 733.76 o
0 28 0 929.06 844.00 254.65 o
2 28 0 32593.97 33555.68 1100.83 o
4 28 0 1078.56 609.45 233.32 o
6 28 0 2193.29 2176.00 313.85 o
8 28 0 5103.95 4477.46 425.37 o
10 28 0 22073.11 22745.70 805.44 o
12 28 0 891.73 607.16 260.10 o
14 28 0 6243.25 6033.81 589.88 o
16 28 0 507.90 572.47 277.45 o
18 28 0 2987.22 2558.61 384.78 o
20 28 0 165.44 398.35 369.48 o
22 28 0 10955.56 12476.79 932.42 o
24 28 0 3400.00 2837.03 1525.86 o
-22 30 0 1181.36 822.74 409.00 o
-20 30 0 409.82 445.88 272.63 o
-18 30 0 11452.82 12129.74 1466.84 o
-16 30 0 3163.95 3126.55 434.84 o
-14 30 0 8434.61 7470.30 1208.17 o
-12 30 0 2391.38 2390.26 382.71 o
-10 30 0 1499.10 1791.18 346.10 o
-8 30 0 2181.18 2724.95 379.23 o
-6 30 0 9103.77 9601.96 589.92 o
-4 30 0 2308.07 1887.27 345.34 o
-2 30 0 4304.61 4036.37 414.04 o
0 30 0 8998.20 9953.67 567.25 o
2 30 0 6837.03 7310.34 516.29 o
4 30 0 13470.61 14547.75 1044.53 o
6 30 0 21703.25 22167.08 813.67 o
8 30 0 5990.35 6281.68 499.71 o
10 30 0 10.01 -178.70 196.47 o
12 30 0 339.27 67.81 229.55 o
14 30 0 3990.62 4086.77 503.69 o
16 30 0 8273.43 9894.12 817.91 o
18 30 0 4945.71 5395.22 1525.86 o
20 30 0 4309.74 4747.02 656.68 o
22 30 0 734.65 -30.11 364.98 o
-20 32 0 1726.36 1834.42 407.92 o
-18 32 0 213.47 150.18 272.82 o
-16 32 0 3.38 -261.51 252.66 o
-14 32 0 1017.75 1341.01 350.90 o
-12 32 0 8206.66 8034.09 913.25 o
-10 32 0 646.18 998.91 316.24 o
-8 32 0 7707.23 9326.70 626.83 o
-6 32 0 420.76 73.15 240.32 o
-4 32 0 143.33 240.08 305.04 o
-2 32 0 6527.22 6932.89 657.94 o
0 32 0 30139.69 32678.92 1279.20 o
2 32 0 76.22 139.82 246.82 o
4 32 0 10318.50 12038.51 657.81 o
6 32 0 256.15 696.24 263.69 o
8 32 0 1822.95 1998.95 499.98 o
10 32 0 3774.38 4597.70 610.57 o
12 32 0 14934.77 17478.03 1681.19 o
14 32 0 0.70 121.78 347.03 o
16 32 0 2205.93 1446.39 461.36 o
18 32 0 442.19 538.81 431.29 o
20 32 0 5056.33 4853.36 1509.33 o
-16 34 0 9246.17 8755.93 843.97 o
-14 34 0 521.76 686.59 349.56 o
-12 34 0 2600.26 3212.37 457.34 o
-10 34 0 631.12 458.28 282.66 o
-8 34 0 1794.87 1792.19 366.23 o
-6 34 0 189.16 -72.81 312.99 o
-4 34 0 9843.65 9779.89 783.94 o
-2 34 0 2614.34 2149.84 488.87 o
0 34 0 197.97 449.89 352.90 o
2 34 0 28.10 65.64 391.96 o
4 34 0 9887.17 11295.51 669.54 o
6 34 0 1274.98 858.40 685.76 o
8 34 0 13400.51 14821.76 1484.88 o
10 34 0 2279.48 1583.12 481.63 o
12 34 0 46.14 -48.86 317.27 o
14 34 0 196.16 13.60 305.65 o
16 34 0 6253.26 7075.87 780.70 o
-10 36 0 2414.05 2348.64 417.46 o
-8 36 0 1670.52 1091.70 432.05 o
-6 36 0 855.22 475.41 548.94 o
-4 36 0 105.05 -142.14 323.05 o
-2 36 0 2180.99 2137.20 488.19 o
0 36 0 4614.67 4104.65 939.90 o
2 36 0 6292.20 7912.52 1140.84 o
4 36 0 1886.68 3792.67 898.26 o
6 36 0 2111.66 1298.15 643.79 o
8 36 0 310.29 32.00 348.96 o
10 36 0 1041.59 853.73 511.26 o
0 1 1 79312.02 83492.23 1899.64 o
-1 2 1 41403.55 40744.76 526.00 o
1 2 1 152779.05 151563.86 1943.40 o
-2 3 1 131575.39 122971.55 1251.54 o
0 3 1 43565.04 42432.32 497.64 o
2 3 1 16887.26 20057.45 261.69 o
-3 4 1 7086.36 8098.00 161.84 o
-1 4 1 284030.53 302000.44 2661.22 o
1 4 1 3950.63 4610.65 113.05 o
3 4 1 38708.14 37291.72 435.42 o
-4 5 1 319887.19 336513.03 2569.39 o
-2 5 1 9.48 18.29 48.07 o
0 5 1 64641.62 65965.20 583.84 o
2 5 1 82919.42 83973.75 835.08 o
4 5 1 116135.15 115232.20 1119.53 o
-5 6 1 34600.35 29578.57 302.61 o
-3 6 1 192221.64 190821.89 1432.13 o
-1 6 1 13536.42 17053.69 212.10 o
1 6 1 11293.97 12566.12 201.64 o
3 6 1 4844.83 3142.51 131.14 o
5 6 1 146622.23 159522.63 1504.89 o
-6 7 1 5823.40 6715.19 163.51 o
-4 7 1 19275.32 22184.06 326.84 o
-2 7 1 114338.87 104353.37 800.21 o
0 7 1 145411.31 146092.19 1060.86 o
2 7 1 6101.98 6883.69 133.96 o
4 7 1 137174.47 134209.75 1201.25 o
6 7 1 4374.01 3236.46 134.23 o
-7 8 1 26428.83 26780.60 395.04 o
-5 8 1 67.32 344.45 62.23 o
-3 8 1 61255.25 68736.32 525.27 o
-1 8 1 503.39 237.20 57.20 o
1 8 1 204155.95 200213.06 1588.27 o
3 8 1 16183.99 13942.54 216.90 o
5 8 1 118850.20 112471.28 1053.76 o
7 8 1 12140.46 13099.94 295.29 o
-8 9 1 25596.08 24177.13 279.49 o
-6 9 1 68784.63 72253.38 588.71 o
-4 9 1 16942.58 16236.40 220.99 o
-2 9 1 86433.39 90348.44 691.43 o
0 9 1 57754.45 63587.36 570.33 o
2 9 1 21658.33 20838.23 262.15 o
4 9 1 2502.25 2539.12 126.88 o
6 9 1 15220.42 13162.64 401.95 o
8 9 1 8058.38 7652.49 211.28 o
-9 10 1 8906.28 10962.42 189.29 o
-7 10 1 60595.44 59393.44 519.38 o
-5 10 1 23946.34 25600.20 301.51 o
-3 10 1 52316.50 47447.44 431.44 o
-1 10 1 5787.79 6721.18 154.65 o
1 10 1 36581.34 32894.07 488.88 o
3 10 1 87.34 -64.10 69.58 o
5 10 1 107965.98 100073.91 984.08 o
7 10 1 19514.19 18985.86 326.66 o
9 10 1 328.66 319.94 86.59 o
-10 11 1 10001.63 10548.29 191.73 o
-8 11 1 745.71 826.98 78.81 o
-6 11 1 23567.94 21796.16 284.25 o
-4 11 1 102196.58 95307.84 752.23 o
-2 11 1 30324.20 30908.17 337.71 o
0 11 1 40232.84 37739.98 435.29 o
2 11 1 99467.87 101555.91 917.68 o
4 11 1 36042.07 30755.59 424.81 o
6 11 1 109832.64 112101.77 1103.41 o
8 11 1 62900.98 63990.11 731.81 o
10 11 1 17184.22 16916.89 299.66 o
-11 12 1 28162.70 30148.00 368.73 o
-9 12 1 34372.43 31720.92 371.38 o
-7 12 1 47858.51 48443.59 511.51 o
-5 12 1 1195.82 1281.47 90.68 o
-3 12 1 52329.57 50919.72 495.46 o
-1 12 1 78684.06 78452.49 756.16 o
1 12 1 38182.52 40361.52 469.54 o
3 12 1 127977.59 127623.08 1130.30 o
5 12 1 6505.66 6268.14 197.35 o
7 12 1 584.22 564.84 102.58 o
9 12 1 121136.10 121345.25 1218.09 o
11 12 1 15795.06 15272.20 308.65 o
-12 13 1 6971.43 6677.89 177.84 o
-10 13 1 47854.64 44828.73 676.97 o
-8 13 1 37170.67 32611.48 403.75 o
-6 13 1 20847.65 22832.62 306.48 o
-4 13 1 59277.57 66201.56 613.77 o
-2 13 1 26954.81 28899.43 364.92 o
0 13 1 7942.38 8419.41 203.40 o
2 13 1 67878.71 68321.81 698.39 o
4 13 1 37953.05 37472.84 505.89 o
6 13 1 438.75 906.68 115.55 o
8 13 1 2458.80 3577.90 177.35 o
10 13 1 2656.79 1917.35 151.78 o
12 13 1 40273.89 38081.54 491.58 o
-13 14 1 48250.02 46541.94 514.70 o
-11 14 1 9802.97 10124.83 212.87 o
-9 14 1 14151.21 14209.21 247.13 o
-7 14 1 39806.92 39773.08 444.29 o
-5 14 1 71458.95 68010.48 639.63 o
-3 14 1 1981.25 2395.35 122.86 o
-1 14 1 83.39 -4.40 71.66 o
1 14 1 31241.13 29746.86 402.48 o
3 14 1 74473.47 70496.85 730.73 o
5 14 1 584.54 439.66 101.96 o
7 14 1 105742.75 111088.70 1143.17 o
9 14 1 16099.87 15010.84 324.70 o
11 14 1 7638.01 7621.74 237.27 o
13 14 1 13706.16 12996.26 268.12 o
-14 15 1 52785.43 52085.63 610.53 o
-12 15 1 4428.38 4797.96 167.84 o
-10 15 1 1506.28 1493.20 158.78 o
-8 15 1 536.42 571.22 84.44 o
-6 15 1 23473.34 22607.51 321.10 o
-4 15 1 2555.06 1754.47 112.27 o
-2 15 1 143161.03 137375.47 1169.62 o
0 15 1 53095.02 49960.01 580.20 o
2 15 1 2375.72 2951.16 147.72 o
4 15 1 8900.27 9021.46 265.80 o
6 15 1 86537.70 82837.57 923.33 o
8 15 1 4243.39 4398.11 201.58 o
10 15 1 34046.40 33425.66 558.25 o
12 15 1 708.03 742.32 112.53 o
14 15 1 1686.35 1417.25 136.45 o
-15 16 1 41.37 77.40 96.08 o
-13 16 1 41433.68 40310.66 521.40 o
-11 16 1 4229.42 4565.07 177.98 o
-9 16 1 4643.01 5373.44 173.58 o
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