#------------------------------------------------------------------------------
#$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $
#$Revision: 697 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017017.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_2017017_Fobs
loop_
_publ_author_name
'Mu\~noz, Juan Carlos'
'Atria, Ana Mar\'ia'
'Garland, Maria Teresa'
'Baggio, Ricardo'
_publ_section_title
;
 Three lanthanide complexes derived from itaconic acid and
 2,2'-bipyridine
;
_journal_coeditor_code           SK3282
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m121
_journal_page_last               m127
_journal_volume                  65
_journal_year                    2009
_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                 94.949
_cell_angle_gamma                90.000
_cell_length_a                   16.4267
_cell_length_b                   18.6449
_cell_length_c                   9.2998
_exptl_crystal_F_000             1712.00
_reflns_d_resolution_high        0.7628
_[local]_cod_data_source_file    sk3282IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 2gdai2bpab4 in C2/c'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            706.81
_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 499581.38 466600.00 10953.31 o
4 0 0 70395.28 62319.58 2600.81 o
6 0 0 85058.08 74754.17 2393.08 o
8 0 0 38539.54 34400.34 684.32 o
10 0 0 65829.83 63958.20 1479.04 o
12 0 0 61921.76 56105.57 1399.91 o
14 0 0 36241.07 32568.68 858.55 o
16 0 0 14784.33 15740.02 762.85 o
18 0 0 6807.81 8742.63 710.92 o
20 0 0 5676.00 7919.31 1241.54 o
1 1 0 36921.20 39704.98 710.27 o
3 1 0 11332.04 11436.81 584.47 o
5 1 0 4003.49 3594.40 404.41 o
7 1 0 1310.07 1733.95 162.61 o
9 1 0 27680.11 25391.32 1114.95 o
11 1 0 30383.04 26651.52 1539.80 o
13 1 0 12423.64 11508.66 452.33 o
15 1 0 7410.04 7181.47 898.17 o
17 1 0 4931.27 4671.88 713.95 o
19 1 0 3890.62 3636.62 703.87 o
21 1 0 2130.30 3100.73 1149.11 o
0 2 0 1608.84 2175.92 166.11 o
2 2 0 6476.62 5724.40 223.41 o
4 2 0 16081.37 16585.93 543.03 o
6 2 0 12796.49 13046.45 902.93 o
8 2 0 963.96 2289.40 329.94 o
10 2 0 3244.48 4052.13 229.99 o
12 2 0 1879.07 1363.84 309.22 o
14 2 0 159.20 423.07 277.07 o
16 2 0 564.01 787.49 308.19 o
18 2 0 966.57 714.33 409.59 o
20 2 0 685.85 -473.18 671.40 o
1 3 0 50411.99 48762.33 433.76 o
3 3 0 129605.70 130555.44 4887.96 o
5 3 0 15635.43 14521.58 332.92 o
7 3 0 37039.63 34281.40 594.08 o
9 3 0 31535.07 31695.61 615.68 o
11 3 0 18464.29 17126.44 353.97 o
13 3 0 8945.86 9742.52 408.65 o
15 3 0 1332.82 1681.32 374.08 o
17 3 0 1714.98 3080.34 1000.26 o
19 3 0 1669.79 1801.70 582.14 o
21 3 0 1023.57 1333.32 717.82 o
0 4 0 73872.36 72069.84 1375.27 o
2 4 0 106946.90 101942.66 1491.04 o
4 4 0 10943.35 10242.72 594.13 o
6 4 0 10458.24 10595.85 1400.09 o
8 4 0 20457.00 20818.17 2553.96 o
10 4 0 2486.38 3991.94 783.01 o
12 4 0 4270.08 6424.49 902.65 o
14 4 0 2178.86 4568.76 782.96 o
16 4 0 516.54 1098.20 415.79 o
18 4 0 295.74 809.28 503.84 o
20 4 0 204.86 910.86 527.78 o
1 5 0 111666.14 109304.84 1781.26 o
3 5 0 73178.39 70629.16 1261.70 o
5 5 0 92016.70 89257.54 833.59 o
7 5 0 39773.83 36746.52 911.42 o
9 5 0 24422.93 22856.12 566.83 o
11 5 0 15417.39 14046.90 449.34 o
13 5 0 4308.86 6869.68 1065.96 o
15 5 0 2081.09 4147.74 453.35 o
17 5 0 2537.31 4440.07 703.50 o
19 5 0 1668.81 2636.69 755.95 o
0 6 0 69268.83 68161.09 881.46 o
2 6 0 50007.70 45189.59 516.30 o
4 6 0 18148.75 17425.77 1394.40 o
6 6 0 32390.74 29876.18 2619.05 o
8 6 0 25325.60 24918.55 1700.26 o
10 6 0 16848.26 17106.75 2139.20 o
12 6 0 18569.41 15845.29 1284.56 o
14 6 0 7193.00 8651.55 1931.37 o
16 6 0 3202.40 4717.56 476.40 o
18 6 0 3776.75 5419.10 1991.42 o
20 6 0 1744.34 1598.40 647.41 o
1 7 0 6579.03 5990.08 238.53 o
3 7 0 768.47 847.96 129.86 o
5 7 0 7291.66 7634.07 447.89 o
7 7 0 1675.89 2143.68 345.75 o
9 7 0 890.93 1310.51 177.45 o
11 7 0 362.58 456.43 340.53 o
13 7 0 2161.02 2448.46 908.90 o
15 7 0 1585.08 1367.29 1032.64 o
17 7 0 2589.36 1927.73 520.40 o
19 7 0 1309.98 1477.88 989.39 o
0 8 0 15856.30 15010.34 402.07 o
2 8 0 59089.99 57274.56 596.79 o
4 8 0 53511.72 50590.86 1216.53 o
6 8 0 23243.76 20985.17 392.32 o
8 8 0 31497.96 28204.80 463.11 o
10 8 0 14494.34 13806.97 477.94 o
12 8 0 6287.46 5924.71 454.89 o
14 8 0 5795.10 7470.34 885.90 o
16 8 0 8414.27 9569.92 1795.35 o
18 8 0 5296.41 5468.84 1118.96 o
1 9 0 189308.94 180420.67 1654.86 o
3 9 0 121145.20 112849.88 1013.14 o
5 9 0 59760.08 54031.51 683.48 o
7 9 0 71078.39 65111.04 2794.12 o
9 9 0 54701.14 45546.12 2304.65 o
11 9 0 30395.13 26956.87 1085.00 o
13 9 0 27104.36 23733.89 2094.73 o
15 9 0 19810.89 18339.85 3695.32 o
17 9 0 9260.17 9670.43 2039.11 o
0 10 0 13631.12 13697.23 488.54 o
2 10 0 3736.33 4749.52 430.26 o
4 10 0 6531.70 7201.58 545.37 o
6 10 0 3689.75 4676.55 725.66 o
8 10 0 1031.80 1998.51 332.13 o
10 10 0 5548.82 8027.19 1299.26 o
12 10 0 2884.66 4159.87 709.38 o
14 10 0 2562.74 2809.05 852.53 o
16 10 0 2804.19 2854.83 581.34 o
18 10 0 2019.27 2245.67 616.76 o
1 11 0 2690.15 3552.73 253.97 o
3 11 0 4266.31 5455.03 293.73 o
5 11 0 2893.92 3830.92 341.88 o
7 11 0 4220.45 4582.80 319.86 o
9 11 0 67.96 335.02 209.04 o
11 11 0 97.77 694.49 345.05 o
13 11 0 22.96 231.53 349.39 o
15 11 0 308.52 434.78 548.73 o
17 11 0 150.60 1234.50 591.05 o
0 12 0 23989.83 21744.94 797.10 o
2 12 0 14851.13 14448.97 400.11 o
4 12 0 15055.43 14075.46 511.54 o
6 12 0 12114.76 11334.85 568.60 o
8 12 0 7730.76 8266.55 359.99 o
10 12 0 9039.04 10059.62 567.72 o
12 12 0 2450.88 2709.62 467.63 o
14 12 0 594.27 1682.53 544.15 o
16 12 0 579.17 1622.10 822.44 o
1 13 0 6298.39 5812.63 339.83 o
3 13 0 478.98 607.38 218.93 o
5 13 0 24.76 350.14 200.03 o
7 13 0 1923.35 3010.39 547.79 o
9 13 0 1523.86 2755.25 725.29 o
11 13 0 772.65 1568.68 393.86 o
13 13 0 655.56 1530.93 565.10 o
15 13 0 2.20 440.99 515.46 o
0 14 0 7113.51 6770.20 663.51 o
2 14 0 22820.93 20907.57 503.98 o
4 14 0 54784.40 50645.55 700.19 o
6 14 0 44528.02 42157.21 670.04 o
8 14 0 33064.99 30139.49 610.46 o
10 14 0 21065.47 18814.53 630.94 o
12 14 0 3775.91 5148.24 513.55 o
14 14 0 4352.87 5572.29 710.45 o
16 14 0 5345.23 5194.29 745.21 o
1 15 0 15657.11 15544.56 592.73 o
3 15 0 11763.49 11803.37 649.79 o
5 15 0 25386.53 23897.39 1215.18 o
7 15 0 26104.07 25421.41 762.62 o
9 15 0 13823.09 14518.92 893.97 o
11 15 0 4090.43 5363.53 515.83 o
13 15 0 2822.06 3113.14 487.88 o
15 15 0 3647.57 4895.10 1631.02 o
0 16 0 421.44 601.27 459.56 o
2 16 0 1176.88 1788.26 391.85 o
4 16 0 71.15 415.46 272.26 o
6 16 0 1577.78 1727.93 283.18 o
8 16 0 1076.53 1308.36 278.70 o
10 16 0 39.05 726.32 377.90 o
12 16 0 199.24 344.54 401.05 o
14 16 0 906.71 1492.44 498.10 o
1 17 0 15139.39 15583.66 615.12 o
3 17 0 17848.83 17482.00 574.86 o
5 17 0 14041.13 14564.92 547.75 o
7 17 0 11203.35 12096.96 461.75 o
9 17 0 7219.67 7019.23 543.64 o
11 17 0 6580.28 6847.14 736.58 o
13 17 0 5552.27 5883.98 939.97 o
0 18 0 36708.36 33250.06 1232.63 o
2 18 0 38958.97 35800.62 727.16 o
4 18 0 33306.39 31352.47 1150.97 o
6 18 0 25463.55 23455.80 754.97 o
8 18 0 19780.30 18600.36 643.12 o
10 18 0 14039.06 13843.69 933.16 o
12 18 0 10249.97 10773.90 1072.07 o
14 18 0 4739.61 4772.34 1030.64 o
1 19 0 14.18 549.24 370.25 o
3 19 0 42.12 934.75 310.29 o
5 19 0 37.52 528.76 330.26 o
7 19 0 341.69 1402.19 363.21 o
9 19 0 259.28 1183.50 907.64 o
11 19 0 202.34 959.43 441.97 o
13 19 0 94.65 1128.86 852.02 o
0 20 0 770.85 1854.29 643.77 o
2 20 0 2858.25 3725.32 670.60 o
4 20 0 3694.61 4590.55 427.64 o
6 20 0 1224.05 1815.75 388.03 o
8 20 0 904.94 1451.98 527.78 o
10 20 0 418.90 1371.58 552.09 o
12 20 0 122.96 1940.56 821.78 o
1 21 0 3084.06 4598.11 555.77 o
3 21 0 3068.45 3914.95 923.41 o
5 21 0 2886.24 3401.64 603.97 o
7 21 0 1922.02 2253.70 531.60 o
9 21 0 1750.69 2313.89 550.31 o
0 22 0 195.39 1193.25 618.44 o
2 22 0 1.89 634.44 426.62 o
4 22 0 135.35 725.71 712.04 o
6 22 0 20.49 1098.53 357.93 o
1 23 0 18861.60 18407.23 746.10 o
3 23 0 15266.04 15889.66 1377.88 o
5 23 0 13775.59 15190.36 997.09 o
-21 1 1 1347.44 1310.69 845.11 o
-19 1 1 2630.90 3287.00 446.03 o
-17 1 1 5614.02 5837.69 465.58 o
-15 1 1 16741.19 16743.27 518.63 o
-13 1 1 24421.97 24037.56 556.15 o
-11 1 1 13801.90 14104.20 390.03 o
-9 1 1 18087.25 18061.24 517.56 o
-7 1 1 48937.26 45301.15 833.96 o
-5 1 1 71754.78 74216.08 1592.90 o
-3 1 1 72443.44 74724.87 2209.00 o
-1 1 1 117206.03 136623.02 2983.89 o
1 1 1 211373.61 228465.55 2589.70 o
3 1 1 23656.65 24198.30 333.11 o
5 1 1 31745.09 30435.69 1873.79 o
7 1 1 61858.44 60012.87 591.19 o
9 1 1 26757.18 25372.51 344.03 o
11 1 1 21892.21 20841.46 621.19 o
13 1 1 17303.78 15556.04 446.77 o
15 1 1 8837.92 8665.69 459.42 o
17 1 1 3429.52 4324.49 507.11 o
19 1 1 2203.22 2108.03 587.64 o
-20 2 1 956.51 2228.92 534.36 o
-18 2 1 1322.66 2259.53 407.95 o
-16 2 1 3079.43 3395.76 647.83 o
-14 2 1 3939.45 5502.58 623.62 o
-12 2 1 1731.27 2357.10 294.66 o
-10 2 1 6144.25 6654.58 544.01 o
-8 2 1 5068.89 5277.72 395.77 o
-6 2 1 893.29 939.84 151.46 o
-4 2 1 33262.04 32676.42 517.14 o
-2 2 1 1247.67 1308.27 90.80 o
0 2 1 3968.68 5072.88 146.00 o
2 2 1 54702.69 51748.46 1129.04 o
4 2 1 632.41 788.10 121.18 o
6 2 1 4637.80 5926.86 977.72 o
8 2 1 4467.57 5545.92 1332.16 o
10 2 1 1766.87 2565.49 431.05 o
12 2 1 2809.17 3494.92 423.21 o
14 2 1 2010.72 2308.20 602.48 o
16 2 1 2172.17 1749.63 404.78 o
18 2 1 1575.18 1807.16 753.85 o
20 2 1 1760.78 2850.86 582.93 o
-19 3 1 633.33 1866.93 760.33 o
-17 3 1 1126.30 1770.02 363.21 o
-15 3 1 944.71 1142.25 335.72 o
-13 3 1 383.61 557.36 262.42 o
-11 3 1 2241.38 2373.10 241.09 o
-9 3 1 6126.57 5631.26 499.41 o
-7 3 1 38.95 580.08 128.50 o
-5 3 1 651.40 1616.13 255.42 o
-3 3 1 2894.62 3918.08 435.95 o
-1 3 1 1967.41 2214.27 114.08 o
1 3 1 12224.74 12199.98 504.35 o
3 3 1 23153.64 21660.58 1592.61 o
5 3 1 5074.91 4990.43 174.93 o
7 3 1 181.05 911.79 131.02 o
9 3 1 1154.09 2061.18 167.74 o
11 3 1 4373.73 4337.32 225.37 o
13 3 1 1452.65 1849.39 230.60 o
15 3 1 647.85 1168.05 445.79 o
17 3 1 1174.39 972.45 493.62 o
19 3 1 2252.76 2632.07 763.55 o
21 3 1 1838.32 835.13 634.58 o
-20 4 1 6014.03 5611.34 1359.87 o
-18 4 1 10840.63 9912.55 1037.92 o
-16 4 1 16890.44 15352.04 692.07 o
-14 4 1 17926.58 15806.75 539.02 o
-12 4 1 31039.71 28423.36 759.49 o
-10 4 1 67688.80 60656.74 642.42 o
-8 4 1 97198.13 94761.99 979.50 o
-6 4 1 110147.09 109236.26 2451.12 o
-4 4 1 115436.09 112618.95 1143.83 o
-2 4 1 56402.94 55749.59 1102.54 o
0 4 1 42707.30 43013.95 1206.64 o
2 4 1 124563.23 128070.28 1040.58 o
4 4 1 142046.98 138602.39 1546.09 o
6 4 1 105361.70 104516.60 1172.16 o
8 4 1 81264.07 74832.75 1539.42 o
10 4 1 56245.42 51334.59 1043.19 o
12 4 1 43369.30 37209.57 1592.24 o
14 4 1 21781.85 17557.96 690.62 o
16 4 1 9216.21 8029.89 686.24 o
18 4 1 8505.14 8136.65 1687.10 o
20 4 1 5980.38 5953.50 883.42 o
-19 5 1 7048.28 6109.11 562.07 o
-17 5 1 10420.47 12174.79 1482.22 o
-15 5 1 9845.93 10376.26 1521.78 o
-13 5 1 18506.21 16844.15 1448.81 o
-11 5 1 32218.69 27713.94 1330.29 o
-9 5 1 49929.07 45308.85 2340.16 o
-7 5 1 168276.86 162938.11 3497.30 o
-5 5 1 148914.11 140162.44 7268.39 o
-3 5 1 37429.63 35415.25 1183.26 o
-1 5 1 91875.37 91704.80 1101.93 o
1 5 1 52212.56 50395.07 498.89 o
3 5 1 102044.00 101334.82 2817.50 o
5 5 1 69982.20 67093.50 3870.67 o
7 5 1 41770.57 40920.71 3850.84 o
9 5 1 43124.20 39554.91 3938.38 o
11 5 1 26229.93 25979.38 2487.66 o
13 5 1 21557.27 22998.20 2351.64 o
15 5 1 10936.81 12248.33 2917.31 o
17 5 1 5643.48 5578.31 1678.75 o
19 5 1 5513.41 6021.49 2302.46 o
-20 6 1 1030.09 1870.34 664.86 o
-18 6 1 588.64 1393.05 985.61 o
-16 6 1 286.99 511.21 452.75 o
-14 6 1 32.04 510.05 335.26 o
-12 6 1 62.75 850.11 509.39 o
-10 6 1 75.52 98.87 203.58 o
-8 6 1 3170.87 3382.46 279.03 o
-6 6 1 183.14 785.62 163.54 o
-4 6 1 21822.08 22443.08 306.42 o
-2 6 1 4194.27 4725.77 472.02 o
0 6 1 1192.85 1214.01 150.85 o
2 6 1 56.50 -7.79 97.43 o
4 6 1 1855.28 2471.65 173.06 o
6 6 1 729.79 1270.24 165.50 o
8 6 1 914.43 1810.19 215.52 o
10 6 1 113.05 149.69 168.44 o
12 6 1 1567.80 1228.34 399.27 o
14 6 1 1671.75 2791.88 667.62 o
16 6 1 621.41 1565.88 828.69 o
18 6 1 640.91 1417.96 742.32 o
-19 7 1 986.84 1355.72 546.25 o
-17 7 1 266.79 1109.17 398.76 o
-15 7 1 14.97 436.98 346.31 o
-13 7 1 24.50 780.07 313.51 o
-11 7 1 2125.10 2657.87 278.70 o
-9 7 1 8180.45 8428.51 316.82 o
-7 7 1 10045.10 9781.67 287.76 o
-5 7 1 173.87 438.93 143.71 o
-3 7 1 14547.62 14647.79 472.67 o
-1 7 1 1597.91 3396.42 240.21 o
1 7 1 16050.67 14916.18 335.26 o
3 7 1 91138.64 92215.04 1757.37 o
5 7 1 36230.22 36898.16 1390.06 o
7 7 1 15.59 911.42 168.12 o
9 7 1 630.67 1042.35 219.16 o
11 7 1 158.47 763.79 214.78 o
13 7 1 31.24 875.82 327.04 o
15 7 1 2311.94 2723.62 487.70 o
17 7 1 1736.76 2072.52 559.41 o
19 7 1 321.72 150.43 557.92 o
-18 8 1 2095.61 3171.42 881.32 o
-16 8 1 2991.70 3817.25 693.98 o
-14 8 1 8079.87 8543.72 840.03 o
-12 8 1 9905.05 10256.34 429.46 o
-10 8 1 24565.63 25001.98 1329.96 o
-8 8 1 41422.43 38444.77 2052.41 o
-6 8 1 19283.10 18127.59 873.86 o
-4 8 1 11818.34 10897.65 351.96 o
-2 8 1 14301.60 13790.69 275.58 o
0 8 1 45440.36 47116.80 1001.10 o
2 8 1 55668.66 55607.15 606.73 o
4 8 1 34534.17 33470.53 1659.48 o
6 8 1 21897.01 20539.38 439.31 o
8 8 1 2302.92 3341.36 310.99 o
10 8 1 3871.00 4220.67 818.98 o
12 8 1 9662.91 9259.35 539.30 o
14 8 1 6639.29 7592.31 525.02 o
16 8 1 3602.64 3042.45 545.41 o
18 8 1 939.65 1375.32 573.97 o
-17 9 1 1064.98 2397.60 1590.05 o
-15 9 1 4207.37 4452.16 632.67 o
-13 9 1 3273.82 4251.42 577.47 o
-11 9 1 2459.37 3366.79 390.22 o
-9 9 1 643.18 1521.46 314.82 o
-7 9 1 281.11 1197.96 266.57 o
-5 9 1 935.99 1224.60 180.20 o
-3 9 1 11471.09 11211.62 422.18 o
-1 9 1 20416.20 19929.01 641.21 o
1 9 1 3608.84 4178.07 459.51 o
3 9 1 5081.57 5393.44 421.20 o
5 9 1 4058.62 4927.91 769.29 o
7 9 1 5148.81 6745.66 308.94 o
9 9 1 9186.82 9360.60 351.82 o
11 9 1 1950.85 2407.12 407.39 o
13 9 1 1502.64 2174.61 665.61 o
15 9 1 1125.53 1704.51 901.06 o
17 9 1 830.14 1743.38 589.55 o
-18 10 1 3660.77 4524.81 660.71 o
-16 10 1 9195.29 9878.91 2035.98 o
-14 10 1 21966.49 20960.96 1599.29 o
-12 10 1 26118.49 24415.65 1453.10 o
-10 10 1 21350.57 20705.72 1462.53 o
-8 10 1 35182.43 32170.06 1564.95 o
-6 10 1 65969.15 60607.04 876.28 o
-4 10 1 54248.14 50717.50 587.08 o
-2 10 1 72666.39 69293.13 832.98 o
0 10 1 80628.62 78844.38 920.42 o
2 10 1 48847.80 48541.91 592.21 o
4 10 1 52533.02 49939.34 620.58 o
6 10 1 31993.25 30311.81 630.52 o
8 10 1 22958.71 21966.91 1551.97 o
10 10 1 17105.01 17115.53 437.86 o
12 10 1 9836.82 12044.19 926.49 o
14 10 1 9521.30 9321.50 1050.09 o
16 10 1 7365.73 7555.45 1556.36 o
18 10 1 4270.55 4648.04 874.09 o
-17 11 1 2148.42 2749.70 1734.32 o
-15 11 1 2850.47 4497.09 1830.54 o
-13 11 1 3007.26 3632.00 747.27 o
-11 11 1 549.71 1057.05 574.76 o
-9 11 1 34.84 168.77 281.18 o
-7 11 1 1337.55 1382.08 242.77 o
-5 11 1 5195.44 6113.08 384.90 o
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