#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/81/2228118.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2228118_Fobs
loop_
_publ_author_name
'Li, Xiao-Ping'
'Zhao, Jian-She'
'Ng, Seik Weng'
_publ_section_title
;
[2,6-Bis(p-tolyliminomethyl)pyridine-\k^3^N,N',N'']dichloridocopper(II)
;
_journal_coeditor_code XU5030
_journal_issue 10
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1297
_journal_volume 66
_journal_year 2010
_space_group_IT_number 43
_symmetry_space_group_name_Hall 'F 2 -2d'
_symmetry_space_group_name_H-M 'F d d 2'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 11.5220
_cell_length_b 35.5220
_cell_length_c 9.3270
_exptl_crystal_F_000 1832.00
_reflns_d_resolution_high 0.7697
_[local]_cod_data_source_file xu5030Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' Fdd2 858 Friedel pairs'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 562.43
_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'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, 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
1 1 -11 592.63 831.10 276.92 o
3 1 -11 5398.83 5732.22 653.51 o
5 1 -11 7296.65 3120.07 649.94 o
1 3 -11 590.47 883.12 276.83 o
3 3 -11 2811.31 2360.49 782.95 o
5 3 -11 1824.86 1113.43 321.22 o
1 5 -11 5135.53 6006.43 650.02 o
3 5 -11 1268.44 1776.92 371.57 o
5 5 -11 3033.21 3417.38 504.10 o
1 7 -11 4775.11 4746.51 431.77 o
3 7 -11 5489.85 6192.93 630.72 o
5 7 -11 2453.18 2404.63 441.40 o
1 9 -11 6874.26 7790.95 551.33 o
3 9 -11 387.47 350.98 247.43 o
5 9 -11 709.44 814.05 302.92 o
1 11 -11 5613.58 6947.25 686.32 o
3 11 -11 1404.19 1827.28 378.52 o
5 11 -11 539.65 553.59 288.15 o
1 13 -11 5631.55 5544.94 1164.03 o
3 13 -11 1949.99 1908.45 400.78 o
1 15 -11 2840.75 3123.88 674.84 o
3 15 -11 4416.60 6311.58 907.65 o
1 17 -11 807.53 777.24 294.05 o
3 17 -11 3255.82 2119.35 785.44 o
1 19 -11 1623.40 2013.22 417.80 o
2 0 -10 5026.60 4482.16 704.87 o
6 0 -10 14612.14 14817.09 1230.33 o
0 2 -10 1359.10 1385.79 286.38 o
2 2 -10 1913.72 1970.87 347.57 o
6 2 -10 740.69 563.93 514.84 o
8 2 -10 6706.95 5822.24 646.39 o
2 4 -10 9864.61 10399.78 699.83 o
4 4 -10 3566.23 3299.34 645.13 o
6 4 -10 13544.06 12638.70 1369.98 o
8 4 -10 2369.05 2807.74 474.63 o
0 6 -10 13719.19 13697.49 722.38 o
2 6 -10 735.03 966.82 274.70 o
4 6 -10 7411.69 7843.09 684.41 o
6 6 -10 352.25 384.14 234.66 o
8 6 -10 3097.71 2674.83 469.41 o
2 8 -10 13016.17 13122.44 597.77 o
4 8 -10 2272.05 2093.54 386.03 o
6 8 -10 4112.72 4975.23 579.25 o
8 8 -10 5259.59 6236.98 686.09 o
0 10 -10 27146.59 26606.49 1079.21 o
2 10 -10 1724.68 1549.85 285.23 o
4 10 -10 5989.60 6037.70 613.58 o
6 10 -10 609.19 481.75 265.95 o
2 12 -10 17268.40 17166.72 892.96 o
4 12 -10 1766.05 1501.20 369.47 o
6 12 -10 694.37 228.08 243.74 o
0 14 -10 25608.25 23631.13 1487.42 o
2 14 -10 1595.53 1478.18 263.13 o
4 14 -10 1047.93 1397.99 341.06 o
6 14 -10 1748.76 2504.06 446.77 o
2 16 -10 9849.40 10386.40 598.32 o
4 16 -10 627.47 836.93 295.44 o
6 16 -10 5243.52 3903.43 1802.49 o
0 18 -10 4957.94 5871.20 848.98 o
2 18 -10 3251.76 3543.69 457.42 o
4 18 -10 7488.27 5921.06 626.45 o
6 18 -10 769.65 1865.94 609.34 o
2 20 -10 5060.61 5023.99 452.27 o
4 20 -10 202.14 188.13 232.63 o
0 22 -10 2634.98 3169.86 459.18 o
2 22 -10 53.02 66.18 149.94 o
4 22 -10 15749.22 17873.63 975.14 o
2 24 -10 796.48 722.66 206.29 o
0 26 -10 2480.94 2224.67 414.02 o
1 1 -9 4306.02 4305.06 305.47 o
3 1 -9 6940.17 6843.57 1330.11 o
5 1 -9 8303.91 7909.77 666.28 o
7 1 -9 4691.35 5452.00 584.23 o
9 1 -9 2494.03 3361.83 543.59 o
1 3 -9 10374.63 10519.53 533.03 o
3 3 -9 13217.65 13840.06 760.44 o
5 3 -9 6618.35 6969.39 1195.44 o
7 3 -9 502.94 608.07 578.47 o
9 3 -9 4888.83 3733.39 529.08 o
1 5 -9 10871.79 11288.92 650.04 o
3 5 -9 705.60 571.19 216.95 o
5 5 -9 6811.95 5749.99 560.13 o
7 5 -9 12788.82 12731.16 784.88 o
9 5 -9 282.75 203.90 245.55 o
1 7 -9 1940.04 1761.97 209.52 o
3 7 -9 10157.94 10526.45 597.05 o
5 7 -9 2305.00 2015.75 622.78 o
7 7 -9 601.02 804.97 284.08 o
9 7 -9 3868.59 3955.88 538.48 o
1 9 -9 11671.15 12699.03 528.44 o
3 9 -9 4377.67 3765.66 1035.63 o
5 9 -9 7141.09 6940.09 631.37 o
7 9 -9 6671.80 6457.40 1018.09 o
9 9 -9 1279.43 1672.20 700.69 o
1 11 -9 17737.24 17140.37 658.32 o
3 11 -9 712.06 1184.64 693.16 o
5 11 -9 5976.21 6207.98 882.80 o
7 11 -9 2478.84 2305.75 410.10 o
9 11 -9 4605.68 5489.62 643.00 o
1 13 -9 3839.14 4327.49 416.19 o
3 13 -9 2852.37 3246.86 291.01 o
5 13 -9 4732.85 3379.60 666.87 o
7 13 -9 701.27 713.69 300.25 o
9 13 -9 6677.27 7752.75 1269.07 o
1 15 -9 10497.45 10764.81 522.71 o
3 15 -9 5.73 164.46 111.83 o
5 15 -9 9555.46 9108.05 600.37 o
7 15 -9 10635.50 11651.88 718.92 o
1 17 -9 1101.13 1094.51 193.71 o
3 17 -9 16790.79 17252.94 751.06 o
5 17 -9 96.46 203.64 152.95 o
7 17 -9 838.18 720.82 205.30 o
1 19 -9 8434.89 7952.31 451.87 o
3 19 -9 297.57 270.07 115.60 o
5 19 -9 2086.96 2506.94 289.66 o
7 19 -9 7602.76 8013.83 755.92 o
1 21 -9 1562.46 1883.64 274.32 o
3 21 -9 4990.59 5324.47 460.58 o
5 21 -9 4285.56 4756.99 467.32 o
7 21 -9 1002.46 1046.50 282.16 o
1 23 -9 3364.53 3645.46 371.96 o
3 23 -9 5501.40 5826.89 421.88 o
5 23 -9 2629.29 3036.37 381.99 o
1 25 -9 3738.67 3930.51 343.92 o
3 25 -9 2787.57 2517.23 300.44 o
5 25 -9 3874.62 4097.57 451.70 o
1 27 -9 33.97 153.49 180.53 o
3 27 -9 5396.85 5315.04 510.65 o
1 29 -9 6965.51 7194.90 570.96 o
3 29 -9 141.51 144.90 173.88 o
0 0 -8 24185.94 26971.48 1406.19 o
4 0 -8 10376.45 10773.78 887.02 o
8 0 -8 6282.13 6194.35 857.66 o
2 2 -8 22363.25 24221.55 648.96 o
4 2 -8 2724.97 3178.11 405.96 o
6 2 -8 4006.40 3387.54 432.34 o
8 2 -8 1086.84 1141.01 294.30 o
10 2 -8 18361.45 16518.76 962.88 o
0 4 -8 2304.91 2882.51 337.49 o
2 4 -8 24540.26 25874.32 1077.56 o
4 4 -8 10274.94 10054.91 653.27 o
6 4 -8 1277.34 1282.11 295.00 o
8 4 -8 9122.87 9676.45 768.85 o
10 4 -8 356.20 392.42 273.16 o
2 6 -8 14925.12 16607.12 1086.18 o
4 6 -8 3850.16 4481.52 683.51 o
6 6 -8 13639.52 14618.76 787.13 o
8 6 -8 9638.53 7417.69 664.34 o
10 6 -8 5099.51 3942.62 523.18 o
0 8 -8 32738.87 32410.06 1133.91 o
2 8 -8 18022.16 17849.82 527.86 o
4 8 -8 18795.00 19034.32 777.22 o
6 8 -8 1452.84 1327.52 242.05 o
8 8 -8 7740.66 6853.46 645.61 o
10 8 -8 1035.68 645.35 316.33 o
2 10 -8 537.53 456.54 130.32 o
4 10 -8 2845.45 2446.81 380.88 o
6 10 -8 29739.72 30280.07 985.33 o
8 10 -8 694.96 1059.78 245.51 o
10 10 -8 2861.52 1980.03 497.46 o
0 12 -8 9144.04 9395.98 542.89 o
2 12 -8 207.97 319.17 103.70 o
4 12 -8 17300.77 18009.95 649.67 o
6 12 -8 438.04 561.58 167.86 o
8 12 -8 9803.49 10025.02 552.25 o
10 12 -8 1665.54 1744.15 323.35 o
2 14 -8 10889.89 11325.18 394.96 o
4 14 -8 915.67 986.81 159.84 o
6 14 -8 16384.86 16878.41 607.11 o
8 14 -8 2849.76 2865.26 309.25 o
10 14 -8 162.31 132.44 206.34 o
0 16 -8 11717.51 11421.23 495.23 o
2 16 -8 9674.96 9400.25 349.79 o
4 16 -8 6013.77 6823.27 370.79 o
6 16 -8 3970.39 3511.86 326.15 o
8 16 -8 8268.50 8507.95 520.21 o
2 18 -8 12728.33 12360.07 382.93 o
4 18 -8 2044.37 1953.29 214.57 o
6 18 -8 4625.80 4936.05 381.81 o
8 18 -8 354.85 356.07 168.34 o
0 20 -8 24875.50 24138.44 998.05 o
2 20 -8 3600.98 3432.62 285.42 o
4 20 -8 2887.15 3024.26 290.64 o
6 20 -8 4829.56 4580.26 435.39 o
8 20 -8 2512.35 2419.64 362.41 o
2 22 -8 21322.81 19290.21 563.23 o
4 22 -8 500.92 329.51 155.33 o
6 22 -8 4542.90 3973.85 537.46 o
8 22 -8 255.37 280.60 212.64 o
0 24 -8 12114.57 11881.06 916.55 o
2 24 -8 158.49 65.49 118.00 o
4 24 -8 3747.47 3437.71 323.27 o
6 24 -8 202.48 486.71 209.43 o
8 24 -8 1612.18 1835.98 336.36 o
2 26 -8 12836.70 13640.90 554.92 o
4 26 -8 889.52 868.45 207.80 o
6 26 -8 2512.28 2890.19 383.57 o
0 28 -8 8496.09 9434.88 742.29 o
2 28 -8 5027.37 4694.82 387.45 o
4 28 -8 6255.28 5932.47 443.95 o
6 28 -8 1200.86 1245.60 252.11 o
2 30 -8 2872.68 2512.88 303.11 o
4 30 -8 79.13 92.50 158.38 o
0 32 -8 3132.32 3458.08 482.74 o
2 32 -8 1777.73 1292.07 520.09 o
4 32 -8 10206.65 7880.82 1139.37 o
2 34 -8 1478.38 746.88 419.83 o
1 1 -7 20028.70 20845.48 761.74 o
3 1 -7 9250.07 8604.11 608.27 o
5 1 -7 4823.34 4929.85 487.86 o
7 1 -7 2576.41 2860.47 302.78 o
9 1 -7 4249.97 3876.94 474.05 o
11 1 -7 9558.63 10079.89 814.56 o
1 3 -7 20232.44 21522.23 537.82 o
3 3 -7 14514.35 14854.49 576.55 o
5 3 -7 3308.32 3358.51 616.72 o
7 3 -7 4232.06 4797.27 403.86 o
9 3 -7 3821.91 3825.72 373.22 o
11 3 -7 10198.91 10310.43 820.82 o
1 5 -7 11950.63 12111.89 350.04 o
3 5 -7 11900.00 12036.63 435.63 o
5 5 -7 8413.84 8256.33 454.21 o
7 5 -7 2671.88 2861.13 369.24 o
9 5 -7 300.44 400.74 184.12 o
11 5 -7 1678.07 1727.77 295.82 o
1 7 -7 7155.58 7529.45 273.77 o
3 7 -7 1408.09 1509.68 145.72 o
5 7 -7 2851.17 2978.87 299.80 o
7 7 -7 2730.11 2563.60 298.98 o
9 7 -7 6515.88 5967.23 711.72 o
11 7 -7 2720.78 2415.55 347.04 o
1 9 -7 5395.56 5535.46 249.80 o
3 9 -7 3561.63 3903.27 243.22 o
5 9 -7 17494.14 17262.12 481.24 o
7 9 -7 7767.93 7358.21 429.55 o
9 9 -7 332.69 222.07 176.94 o
11 9 -7 1181.81 1568.27 526.57 o
1 11 -7 2770.01 2839.77 168.02 o
3 11 -7 5356.01 4888.57 273.55 o
5 11 -7 14028.17 13877.39 431.07 o
7 11 -7 4160.61 4808.32 349.58 o
9 11 -7 832.39 1320.82 275.58 o
11 11 -7 1360.52 1289.39 286.64 o
1 13 -7 963.78 832.76 101.92 o
3 13 -7 7849.25 7639.44 340.25 o
5 13 -7 16135.56 15618.25 470.47 o
7 13 -7 11508.34 11533.85 483.24 o
9 13 -7 1692.60 1921.44 260.21 o
11 13 -7 319.56 153.82 178.42 o
1 15 -7 6591.07 6784.94 308.62 o
3 15 -7 17532.46 16748.78 427.42 o
5 15 -7 5510.94 5609.43 354.41 o
7 15 -7 19178.14 20844.95 870.07 o
9 15 -7 2300.65 2276.94 285.72 o
11 15 -7 53.82 -15.50 163.23 o
1 17 -7 4071.36 4483.36 259.22 o
3 17 -7 3375.83 3238.11 213.02 o
5 17 -7 606.68 488.06 134.44 o
7 17 -7 5856.30 6536.56 474.94 o
9 17 -7 5585.06 6285.29 445.40 o
1 19 -7 5472.66 5797.59 312.75 o
3 19 -7 13007.14 11795.87 479.01 o
5 19 -7 9690.74 9762.54 433.81 o
7 19 -7 3746.49 3194.91 309.93 o
9 19 -7 2286.71 2336.97 338.25 o
1 21 -7 9090.42 8898.48 409.09 o
3 21 -7 5000.25 4880.26 297.74 o
5 21 -7 1223.39 1479.59 219.49 o
7 21 -7 3182.39 3073.26 362.72 o
9 21 -7 6796.71 6722.91 548.42 o
1 23 -7 2595.58 2567.90 226.16 o
3 23 -7 1571.90 1435.05 209.48 o
5 23 -7 52.94 41.44 129.80 o
7 23 -7 1.11 127.50 166.83 o
9 23 -7 6469.08 7232.29 578.52 o
1 25 -7 6832.22 7335.30 428.59 o
3 25 -7 1913.75 1950.86 247.45 o
5 25 -7 811.03 704.74 190.28 o
7 25 -7 1263.86 1047.26 254.58 o
9 25 -7 2782.28 2722.56 381.79 o
1 27 -7 4176.92 4343.39 338.48 o
3 27 -7 7921.38 7820.07 803.48 o
5 27 -7 1572.76 988.32 211.27 o
7 27 -7 4559.50 4242.34 507.76 o
1 29 -7 2297.74 2146.42 231.91 o
3 29 -7 5407.92 4620.20 788.89 o
5 29 -7 6973.74 6022.20 966.19 o
7 29 -7 5164.21 4681.89 610.44 o
1 31 -7 890.02 906.64 180.24 o
3 31 -7 3456.14 2542.32 697.41 o
5 31 -7 562.10 384.98 239.10 o
1 33 -7 841.54 1135.82 198.51 o
3 33 -7 8334.00 7487.61 588.12 o
5 33 -7 5653.20 6314.66 480.47 o
1 35 -7 262.29 135.50 143.59 o
3 35 -7 1715.94 1916.39 441.31 o
1 37 -7 82.61 260.96 164.45 o
2 0 -6 28667.98 28573.91 736.24 o
6 0 -6 2739.81 2893.99 328.65 o
10 0 -6 11400.71 11794.83 676.24 o
0 2 -6 46548.02 46740.64 1379.27 o
2 2 -6 3112.11 3163.78 195.42 o
4 2 -6 21367.30 22270.08 440.26 o
6 2 -6 10083.58 9603.17 506.19 o
8 2 -6 22685.06 23847.61 675.86 o
10 2 -6 336.82 375.06 152.23 o
12 2 -6 7547.58 8420.12 504.28 o
2 4 -6 13947.14 13215.63 316.66 o
4 4 -6 11588.29 11793.36 311.07 o
6 4 -6 27063.75 27740.18 703.26 o
8 4 -6 20889.65 22402.15 688.99 o
10 4 -6 8185.11 9258.39 695.83 o
12 4 -6 4196.51 4457.10 435.80 o
0 6 -6 19402.51 20890.89 757.64 o
2 6 -6 14496.81 14370.58 339.29 o
4 6 -6 19580.02 20964.24 744.46 o
6 6 -6 55.15 23.97 87.63 o
8 6 -6 8254.41 8597.00 415.40 o
10 6 -6 5817.77 5655.31 447.76 o
12 6 -6 3031.89 3558.96 391.22 o
2 8 -6 20641.56 20632.10 436.90 o
4 8 -6 13208.77 12795.67 374.65 o
6 8 -6 25650.81 25229.43 692.50 o
8 8 -6 11030.64 11506.83 464.02 o
10 8 -6 7203.21 7375.18 527.41 o
12 8 -6 2690.10 2569.39 359.90 o
0 10 -6 14214.10 14002.32 418.64 o
2 10 -6 3848.33 3826.03 200.87 o
4 10 -6 50146.59 48652.17 947.27 o
6 10 -6 734.06 779.24 147.91 o
8 10 -6 13199.56 12819.38 497.22 o
10 10 -6 1735.82 1754.38 241.73 o
12 10 -6 915.74 844.34 251.95 o
2 12 -6 14262.47 14048.17 344.17 o
4 12 -6 4451.79 4553.41 261.76 o
6 12 -6 28546.19 27152.46 657.83 o
8 12 -6 234.29 202.85 136.96 o
10 12 -6 2640.27 2748.19 345.23 o
12 12 -6 1262.55 1178.90 244.91 o
0 14 -6 9046.48 8833.39 334.62 o
2 14 -6 739.61 690.67 116.00 o
4 14 -6 27203.54 27280.01 561.59 o
6 14 -6 1512.19 1223.51 161.41 o
8 14 -6 6316.83 6990.16 426.88 o
10 14 -6 120.93 95.31 153.95 o
12 14 -6 3837.61 3340.53 399.49 o
2 16 -6 27537.25 28229.44 637.17 o
4 16 -6 3488.03 3488.40 205.66 o
6 16 -6 12076.16 12639.04 423.91 o
8 16 -6 7653.84 7132.76 636.38 o
10 16 -6 4260.57 4300.68 365.75 o
0 18 -6 21342.94 18069.56 1323.80 o
2 18 -6 189.99 17.30 64.04 o
4 18 -6 9653.02 8737.28 354.78 o
6 18 -6 2091.29 2135.35 210.66 o
8 18 -6 8461.45 9319.68 586.74 o
10 18 -6 112.15 312.18 196.93 o
2 20 -6 20992.44 20134.81 595.94 o
4 20 -6 5190.67 5198.44 350.32 o
6 20 -6 2960.65 2680.94 265.02 o
8 20 -6 1725.17 1813.29 291.53 o
10 20 -6 8282.42 8348.91 598.09 o
0 22 -6 80480.73 79416.66 2263.99 o
2 22 -6 2607.57 2551.06 242.01 o
4 22 -6 14830.43 13479.08 504.55 o
6 22 -6 174.77 255.59 139.54 o
8 22 -6 3692.97 4239.51 711.78 o
10 22 -6 305.10 320.26 283.01 o
2 24 -6 11967.47 11987.64 445.53 o
4 24 -6 767.26 340.55 133.37 o
6 24 -6 3154.46 3842.67 381.03 o
8 24 -6 211.55 175.56 176.65 o
10 24 -6 12402.06 12511.67 769.51 o
0 26 -6 45167.67 41347.93 1180.05 o
2 26 -6 1977.52 1999.18 226.90 o
4 26 -6 4053.94 4120.26 417.41 o
6 26 -6 622.26 489.90 167.61 o
8 26 -6 2138.83 2317.06 337.66 o
2 28 -6 12893.74 12257.27 487.37 o
4 28 -6 3111.49 3109.14 301.13 o
6 28 -6 2644.97 2187.44 273.36 o
8 28 -6 3159.15 3087.05 370.64 o
0 30 -6 3943.83 4084.87 572.75 o
2 30 -6 157.08 70.88 119.59 o
4 30 -6 7185.08 7079.56 466.63 o
6 30 -6 818.69 774.45 214.56 o
8 30 -6 4629.85 5156.20 435.71 o
2 32 -6 6844.03 6838.06 394.92 o
4 32 -6 905.13 782.04 204.06 o
6 32 -6 7250.59 6342.45 464.21 o
0 34 -6 2123.67 2359.96 338.56 o
2 34 -6 906.78 771.25 178.99 o
4 34 -6 11410.37 10558.98 618.57 o
6 34 -6 1831.21 2158.48 296.14 o
2 36 -6 3730.49 3876.25 324.18 o
4 36 -6 5658.87 5415.95 518.39 o
0 38 -6 6060.37 6177.69 650.19 o
2 38 -6 2774.76 2619.44 346.49 o
4 38 -6 7713.21 7000.44 514.59 o
1 1 -5 22684.05 24309.14 436.22 o
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