#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:13:07 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180832 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/63/2016314.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_2016314_Fobs
loop_
_publ_author_name
'Tafeenko, Viktor A.'
'Panin, Gennady N.'
'Baranov, Andrey N.'
'Bardasov, Ivan N.'
'Aslanov, Leonid A.'
_publ_section_title
;
 Luminescent properties of three structures built from
 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate
 and cadmium
;
_journal_coeditor_code           GA3063
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m541
_journal_page_last               m547
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 119.769
_cell_angle_gamma                90.000
_cell_length_a                   18.3348
_cell_length_b                   19.9640
_cell_length_c                   13.5231
_exptl_crystal_F_000             2472.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            ga3063IIIsup4.hkl
_cod_data_source_block           III
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  cd_red in C 2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            647.44
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -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 59939.21 55725.24 769.29 o
4 0 0 15310.42 14030.31 1331.12 o
6 0 0 134540.39 134615.47 922.85 o
8 0 0 81968.52 77994.06 3421.85 o
10 0 0 77365.41 81852.13 4814.84 o
12 0 0 6728.69 7294.77 1210.59 o
14 0 0 64509.76 65490.64 11069.36 o
16 0 0 73.62 128.67 102.96 o
18 0 0 4968.60 4890.69 1030.97 o
1 1 0 13291.03 22909.64 304.85 o
3 1 0 358.43 729.89 73.16 o
5 1 0 18544.43 19448.92 772.42 o
7 1 0 1406.42 1589.70 97.85 o
9 1 0 49.80 60.10 81.00 o
11 1 0 162.96 434.80 203.80 o
13 1 0 176.31 13.12 121.54 o
15 1 0 2101.34 2064.07 517.48 o
17 1 0 156.21 5.46 108.36 o
19 1 0 35.54 22.08 133.72 o
0 2 0 165999.80 160794.06 3565.67 o
2 2 0 1699.80 2006.56 109.28 o
4 2 0 9649.70 9513.63 695.98 o
6 2 0 90219.84 76828.91 14104.44 o
8 2 0 53452.05 50074.45 9435.89 o
10 2 0 27298.65 28149.64 4821.22 o
12 2 0 6743.22 7963.61 1471.94 o
14 2 0 41206.95 42113.92 8630.31 o
16 2 0 313.19 398.62 118.39 o
18 2 0 1771.04 1869.08 308.90 o
1 3 0 16410.67 20182.02 185.73 o
3 3 0 48.84 537.43 73.00 o
5 3 0 335.60 349.51 78.31 o
7 3 0 524.97 667.30 181.74 o
9 3 0 7218.65 7010.46 1005.81 o
11 3 0 5316.61 6492.41 978.84 o
13 3 0 276.22 270.99 147.29 o
15 3 0 1261.98 1237.07 138.65 o
17 3 0 1556.01 1246.99 126.22 o
19 3 0 1267.30 1437.73 145.61 o
0 4 0 247166.98 279925.66 1210.48 o
2 4 0 4310.61 4925.85 249.89 o
4 4 0 8787.27 9582.97 630.10 o
6 4 0 138910.08 139144.45 11667.56 o
8 4 0 45764.79 39496.22 7097.33 o
10 4 0 2880.16 3023.87 835.82 o
12 4 0 5021.78 5977.15 964.91 o
14 4 0 47522.00 48186.72 9720.31 o
16 4 0 411.86 557.68 118.64 o
18 4 0 141.98 141.02 116.85 o
1 5 0 33710.39 34285.38 699.96 o
3 5 0 24344.31 23671.75 1701.71 o
5 5 0 84137.83 93481.83 8263.19 o
7 5 0 2983.35 3525.84 497.80 o
9 5 0 18234.56 18168.72 2984.00 o
11 5 0 17932.08 19863.38 3477.63 o
13 5 0 834.26 1092.27 254.34 o
15 5 0 4170.50 4388.61 934.62 o
17 5 0 1164.21 917.21 248.89 o
19 5 0 3014.36 3503.48 452.80 o
0 6 0 164656.13 177659.88 1055.44 o
2 6 0 115.13 296.31 70.89 o
4 6 0 36787.88 39878.69 2871.50 o
6 6 0 103720.37 109393.70 11285.98 o
8 6 0 80299.78 75675.53 12995.11 o
10 6 0 6414.39 7290.35 1754.85 o
12 6 0 7967.85 8936.40 1796.87 o
14 6 0 33934.69 33887.27 5644.17 o
16 6 0 31.98 245.19 126.18 o
18 6 0 2899.16 2896.16 558.90 o
1 7 0 2121.87 1883.78 102.93 o
3 7 0 65096.01 61848.14 3474.66 o
5 7 0 48287.11 49885.90 2830.82 o
7 7 0 1207.55 1584.72 126.47 o
9 7 0 1101.23 1135.54 189.06 o
11 7 0 752.01 817.96 155.11 o
13 7 0 6381.15 6472.67 1008.69 o
15 7 0 8260.11 7787.17 1801.93 o
17 7 0 943.56 989.11 218.39 o
0 8 0 62963.19 60349.70 681.22 o
2 8 0 2465.15 1836.61 121.68 o
4 8 0 10233.61 9385.96 523.71 o
6 8 0 51595.96 51340.80 5385.41 o
8 8 0 13288.98 12127.92 1571.67 o
10 8 0 3118.54 3595.95 763.04 o
12 8 0 9917.29 10727.93 2104.92 o
14 8 0 38087.82 38925.56 6665.21 o
16 8 0 1205.05 1606.75 399.22 o
18 8 0 3063.55 2958.99 403.51 o
1 9 0 2412.67 2196.23 115.74 o
3 9 0 19873.96 19349.60 739.35 o
5 9 0 7543.28 7575.07 861.00 o
7 9 0 7809.84 8465.72 1249.18 o
9 9 0 9505.94 10058.49 950.24 o
11 9 0 816.48 858.03 204.65 o
13 9 0 23697.19 24159.12 4368.90 o
15 9 0 1947.13 2184.43 358.28 o
17 9 0 1528.17 1597.64 156.73 o
0 10 0 44848.79 40957.72 600.56 o
2 10 0 3866.47 3469.58 144.12 o
4 10 0 1064.25 890.73 384.55 o
6 10 0 53264.02 54124.08 4993.93 o
8 10 0 20155.40 20911.25 2641.10 o
10 10 0 89.99 115.38 134.44 o
12 10 0 1254.30 1626.18 218.31 o
14 10 0 12763.71 13372.65 2311.85 o
16 10 0 664.28 468.44 222.94 o
1 11 0 17191.52 15185.07 666.87 o
3 11 0 5930.70 6143.65 203.81 o
5 11 0 4478.16 4021.46 276.63 o
7 11 0 99.92 459.33 225.52 o
9 11 0 9117.25 8572.65 864.45 o
11 11 0 10433.54 11761.60 2550.30 o
13 11 0 2848.40 2921.32 493.14 o
15 11 0 5433.61 6610.61 780.56 o
17 11 0 647.68 695.84 145.48 o
0 12 0 46535.57 43737.08 685.52 o
2 12 0 19237.63 18529.48 797.52 o
4 12 0 3702.35 4767.87 699.75 o
6 12 0 24543.95 24988.73 3017.79 o
8 12 0 20189.89 19885.22 2080.90 o
10 12 0 11249.17 11767.70 2401.43 o
12 12 0 4535.55 4584.06 803.20 o
14 12 0 8053.75 8601.84 1555.92 o
16 12 0 0.45 9.24 149.09 o
1 13 0 30250.80 28916.44 874.24 o
3 13 0 12194.41 13045.38 463.12 o
5 13 0 16666.31 18151.09 1921.42 o
7 13 0 651.94 508.19 154.66 o
9 13 0 17879.26 18441.66 2371.52 o
11 13 0 5693.04 6226.02 670.28 o
13 13 0 10863.08 11874.91 2342.66 o
15 13 0 10465.06 12587.71 2143.70 o
0 14 0 59723.79 53828.67 832.22 o
2 14 0 7501.32 7327.31 251.50 o
4 14 0 133.97 191.88 211.46 o
6 14 0 36777.31 36328.22 4756.19 o
8 14 0 7633.75 8107.87 639.82 o
10 14 0 151.98 404.88 312.46 o
12 14 0 5303.33 6316.21 725.62 o
14 14 0 12078.68 12755.93 2016.71 o
16 14 0 36.45 81.06 77.08 o
1 15 0 11264.74 10632.41 436.22 o
3 15 0 8198.84 8624.36 290.55 o
5 15 0 5432.88 5788.42 274.21 o
7 15 0 2547.76 3028.33 380.79 o
9 15 0 38965.05 40118.58 5784.81 o
11 15 0 938.01 951.14 184.44 o
13 15 0 1711.16 1666.17 344.91 o
15 15 0 9282.61 10160.73 1097.74 o
0 16 0 29792.89 25880.73 655.02 o
2 16 0 11447.56 10789.16 309.46 o
4 16 0 729.24 964.27 199.03 o
6 16 0 29676.89 30929.86 2259.11 o
8 16 0 11028.54 11624.03 1016.65 o
10 16 0 1435.64 1356.61 194.35 o
12 16 0 1352.24 1541.40 184.42 o
14 16 0 4806.60 5645.39 700.76 o
1 17 0 11520.58 10777.99 341.92 o
3 17 0 1925.45 1681.67 165.08 o
5 17 0 20096.59 19912.62 1627.74 o
7 17 0 66.24 158.08 232.58 o
9 17 0 13490.33 13952.08 1136.61 o
11 17 0 1132.13 1545.18 156.36 o
13 17 0 2033.20 2080.46 234.76 o
0 18 0 1316.88 1311.51 208.19 o
2 18 0 535.08 707.11 132.00 o
4 18 0 8371.69 8041.52 283.55 o
6 18 0 14703.83 13952.60 735.82 o
8 18 0 12922.56 13099.66 859.98 o
10 18 0 2908.61 3064.11 195.08 o
12 18 0 2062.97 2230.31 135.94 o
1 19 0 16724.69 15593.99 367.95 o
3 19 0 6290.63 5664.49 277.28 o
5 19 0 26467.34 25866.98 1082.51 o
7 19 0 335.32 474.09 118.18 o
9 19 0 13694.98 13282.68 1223.55 o
11 19 0 1898.41 2035.89 131.88 o
0 20 0 8481.81 7106.83 358.46 o
2 20 0 4354.50 3992.98 191.68 o
4 20 0 4379.13 3985.65 196.72 o
6 20 0 5592.08 4802.21 208.42 o
8 20 0 4653.95 3976.47 200.63 o
10 20 0 566.52 472.07 163.22 o
1 21 0 12893.86 11545.79 431.43 o
3 21 0 5189.42 5118.78 339.53 o
5 21 0 15213.10 14484.78 1280.51 o
7 21 0 444.75 805.39 186.86 o
9 21 0 10821.29 9419.01 223.20 o
0 22 0 4022.64 3743.85 241.61 o
2 22 0 5552.52 5219.05 194.62 o
4 22 0 7131.83 6692.14 251.16 o
6 22 0 626.76 507.92 97.82 o
8 22 0 2190.99 1963.91 168.74 o
1 23 0 6155.64 5960.94 192.50 o
3 23 0 1053.99 1025.11 107.45 o
5 23 0 7404.57 6800.80 319.94 o
0 24 0 113.70 195.89 110.68 o
2 24 0 799.58 862.48 133.59 o
4 24 0 6258.83 4991.42 224.62 o
-19 1 1 2.36 57.96 105.63 o
-17 1 1 30015.88 27408.94 565.12 o
-15 1 1 80.68 293.97 150.01 o
-13 1 1 6552.56 6858.80 322.25 o
-11 1 1 45803.55 47862.78 722.43 o
-9 1 1 107263.74 113738.85 1003.71 o
-7 1 1 59911.70 59999.56 668.75 o
-5 1 1 16560.43 13834.44 285.69 o
-3 1 1 236815.97 225372.33 4170.99 o
-1 1 1 2130.40 3087.37 118.92 o
1 1 1 8218.79 11881.33 226.93 o
3 1 1 193365.95 171242.73 1148.38 o
5 1 1 43885.97 34644.49 645.35 o
7 1 1 15662.27 14150.18 441.88 o
9 1 1 59472.50 61648.47 930.22 o
11 1 1 58000.55 58166.36 982.49 o
13 1 1 3711.93 3774.78 326.86 o
15 1 1 179.23 73.04 174.82 o
17 1 1 26720.22 25036.01 586.88 o
-20 2 1 483.39 438.37 101.81 o
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-16 2 1 2350.43 2186.51 219.60 o
-14 2 1 897.82 965.13 196.88 o
-12 2 1 1741.43 1611.59 180.65 o
-10 2 1 553.86 648.02 137.96 o
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-2 2 1 2090.47 2670.85 104.76 o
0 2 1 6894.31 11159.45 187.48 o
2 2 1 549.59 666.33 116.31 o
4 2 1 21787.85 21914.56 444.53 o
6 2 1 8824.88 8037.14 317.31 o
8 2 1 99.16 86.79 154.03 o
10 2 1 3635.68 3249.37 282.59 o
12 2 1 1236.51 1117.71 225.08 o
14 2 1 20.77 46.79 181.41 o
16 2 1 715.43 503.65 168.87 o
18 2 1 117.65 217.29 140.46 o
-19 3 1 988.02 1267.62 135.29 o
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-13 3 1 13251.63 14427.58 448.47 o
-11 3 1 49695.80 53312.27 771.49 o
-9 3 1 101437.39 105080.19 974.83 o
-7 3 1 5276.54 4684.67 200.97 o
-5 3 1 18570.35 18413.08 299.37 o
-3 3 1 309868.09 289101.25 4884.69 o
-1 3 1 6386.21 7303.99 196.64 o
1 3 1 386.14 245.90 93.48 o
3 3 1 227266.06 251085.83 1309.69 o
5 3 1 151093.83 137805.88 1182.76 o
7 3 1 8093.15 6452.53 314.93 o
9 3 1 11020.72 10223.48 420.35 o
11 3 1 61999.41 60878.46 1052.46 o
13 3 1 5522.69 5419.69 350.26 o
15 3 1 938.19 505.07 176.10 o
17 3 1 21967.27 19646.89 515.89 o
-20 4 1 191.10 208.28 99.67 o
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-16 4 1 3180.04 3478.25 243.74 o
-14 4 1 1290.99 1384.48 207.54 o
-12 4 1 6405.38 6195.79 322.75 o
-10 4 1 3633.93 3767.67 228.52 o
-8 4 1 14204.81 13821.03 342.64 o
-6 4 1 1899.77 1932.76 140.76 o
-4 4 1 14611.42 15853.01 268.82 o
-2 4 1 5251.56 6621.07 188.41 o
0 4 1 3994.14 4407.84 175.96 o
2 4 1 43821.59 52605.25 523.72 o
4 4 1 1361.11 1898.40 163.73 o
6 4 1 8037.47 7684.06 314.92 o
8 4 1 1983.79 1781.29 224.26 o
10 4 1 398.05 223.91 198.51 o
12 4 1 1355.77 1493.13 250.58 o
14 4 1 2016.06 2087.87 262.89 o
16 4 1 655.25 779.43 177.69 o
18 4 1 84.36 172.50 140.81 o
-19 5 1 291.15 271.74 111.20 o
-17 5 1 33776.82 31787.77 613.56 o
-15 5 1 717.15 480.26 196.62 o
-13 5 1 2619.63 2646.32 246.17 o
-11 5 1 51590.82 57720.48 856.92 o
-9 5 1 57159.56 51710.96 728.92 o
-7 5 1 45874.53 47950.84 609.96 o
-5 5 1 866.83 554.29 90.65 o
-3 5 1 113722.45 116951.48 760.25 o
-1 5 1 7560.97 9226.62 251.72 o
1 5 1 64.22 248.56 109.49 o
3 5 1 303764.91 315525.50 1540.67 o
5 5 1 34458.95 32482.03 579.32 o
7 5 1 15329.55 13344.14 461.00 o
9 5 1 8072.55 7033.35 407.23 o
11 5 1 15206.49 13416.25 565.52 o
13 5 1 8162.05 8240.98 444.06 o
15 5 1 1282.53 860.75 207.94 o
17 5 1 15246.17 14464.03 444.41 o
-18 6 1 2211.93 1746.53 166.30 o
-16 6 1 950.97 1026.58 192.45 o
-14 6 1 1682.06 1709.34 226.74 o
-12 6 1 5334.08 5520.84 316.38 o
-10 6 1 816.70 781.19 162.53 o
-8 6 1 3691.95 3439.69 211.76 o
-6 6 1 785.41 663.61 121.23 o
-4 6 1 22799.64 23489.75 371.66 o
-2 6 1 5109.51 5127.51 198.63 o
0 6 1 23110.84 24583.48 408.90 o
2 6 1 20672.33 22461.03 392.60 o
4 6 1 21473.62 24581.18 480.93 o
6 6 1 9578.52 8771.34 351.09 o
8 6 1 6151.97 5864.42 354.29 o
10 6 1 881.76 150.48 229.79 o
12 6 1 17160.11 16752.52 611.77 o
14 6 1 600.94 417.73 216.82 o
16 6 1 4871.45 4067.89 294.85 o
18 6 1 1318.69 1123.89 179.45 o
-19 7 1 10.98 79.26 103.60 o
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-15 7 1 6998.98 6634.00 340.71 o
-13 7 1 123.73 14.63 187.37 o
-11 7 1 62506.33 68679.77 1024.80 o
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-3 7 1 128670.95 114525.87 865.48 o
-1 7 1 19187.13 23448.68 419.80 o
1 7 1 1584.14 1280.69 133.15 o
3 7 1 204689.72 200694.95 1339.54 o
5 7 1 13797.56 12808.53 399.62 o
7 7 1 2325.48 2168.46 239.87 o
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13 7 1 8829.08 8965.98 493.64 o
15 7 1 2420.09 2069.15 242.61 o
17 7 1 15318.96 15218.89 441.35 o
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-14 8 1 18.95 59.32 163.62 o
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-10 8 1 1714.79 2021.75 220.17 o
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0 8 1 934.92 1114.26 146.38 o
2 8 1 10057.31 10132.18 317.38 o
4 8 1 40.81 130.72 117.36 o
6 8 1 28842.40 27346.72 647.90 o
8 8 1 816.11 862.33 199.38 o
10 8 1 3890.92 3278.77 349.93 o
12 8 1 3661.01 3828.40 364.14 o
14 8 1 291.92 597.27 186.28 o
16 8 1 5071.49 5436.70 292.08 o
-17 9 1 10694.57 10749.58 354.79 o
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-13 9 1 4086.34 5226.98 345.68 o
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3 9 1 62290.83 55056.14 812.42 o
5 9 1 28126.21 28556.26 645.14 o
7 9 1 8622.31 7912.06 418.16 o
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11 9 1 27942.28 25417.92 827.06 o
13 9 1 232.94 327.17 239.58 o
15 9 1 118.48 80.61 157.99 o
17 9 1 9556.94 8802.23 324.58 o
-18 10 1 2677.22 2555.79 171.27 o
-16 10 1 4849.74 4909.71 287.05 o
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2 10 1 20055.72 18653.27 474.71 o
4 10 1 8441.78 8106.02 381.82 o
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8 10 1 509.41 647.94 222.39 o
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12 10 1 9425.19 9901.71 512.35 o
14 10 1 66.31 46.63 196.40 o
16 10 1 3725.55 3309.41 240.27 o
-17 11 1 9008.98 8371.90 294.88 o
-15 11 1 1347.32 1233.92 185.88 o
-13 11 1 2169.85 2835.35 291.96 o
-11 11 1 36016.11 37920.27 897.64 o
-9 11 1 13257.09 14356.89 543.75 o
-7 11 1 647.16 1033.96 187.39 o
-5 11 1 9814.59 10841.68 362.75 o
-3 11 1 90279.08 86947.40 951.98 o
-1 11 1 5238.59 5871.37 269.66 o
1 11 1 1118.74 1211.22 182.44 o
3 11 1 53192.13 45963.41 825.91 o
5 11 1 3744.19 3266.33 319.71 o
7 11 1 2271.36 2272.25 282.46 o
9 11 1 8682.78 7492.94 511.95 o
11 11 1 36359.43 35515.20 983.30 o
13 11 1 766.85 548.85 246.05 o
15 11 1 38.70 12.17 160.60 o
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-6 12 1 13095.79 12818.67 456.30 o
-4 12 1 9295.17 9256.04 354.78 o
-2 12 1 42849.52 43270.30 709.79 o
0 12 1 23.91 95.12 147.85 o
2 12 1 44266.43 44128.86 806.88 o
4 12 1 224.33 287.19 189.47 o
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