#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/07/2210754.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_2210754_Fobs
loop_
_publ_author_name
'B\'elomb\'e, Michel M.'
'Nenwa, Justin'
'Kammoe, Astride L.'
'Poudeu, Pierre F. P.'
_publ_section_title
;
 Hydronium tris(oxamide dioxime-\k^2^<i>N</i>,<i>N</i>')nickel(II)
 triiodide
;
_journal_coeditor_code           OM2032
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2583
_journal_page_last               m2585
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   16.1055
_cell_length_b                   16.1055
_cell_length_c                   14.4876
_exptl_crystal_F_000             2304.00
_reflns_d_resolution_high        0.6183
_[local]_cod_data_source_file    om2032Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' C~6~H~21~I~3~N~12~NiO~7~ in R-3c'
_shelx_refln_list_code           3
_shelx_f_calc_maximum            681.05
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_meas
_refln_F_sigma
_refln_A_calc
_refln_B_calc
0 3 0 88.7965 3.0754 115.9901 0.0000
-2 4 0 571.4084 4.1975 573.8544 0.0000
-1 5 0 61.6134 2.4015 -43.7561 0.0000
-3 6 0 346.2641 2.8622 -319.7565 0.0000
0 6 0 216.0284 1.7401 234.4801 0.0000
-2 7 0 489.6145 2.9056 482.4705 0.0000
-4 8 0 302.3725 2.4255 295.9050 0.0000
-1 8 0 106.3190 0.9824 -101.9121 0.0000
-3 9 0 285.7181 2.8823 280.9373 0.0000
0 9 0 572.0474 6.0184 560.6333 0.0000
-5 10 0 64.5282 2.4854 52.7968 0.0000
-2 10 0 60.7773 1.5840 -59.7608 0.0000
-4 11 0 548.1893 6.0002 534.7532 0.0000
-1 11 0 82.9912 1.0944 -84.6568 0.0000
-6 12 0 39.8219 3.3334 27.1602 0.0000
-3 12 0 18.4763 4.9954 9.2044 0.0000
0 12 0 43.2631 2.9928 -45.5034 0.0000
-5 13 0 65.8461 1.6336 60.9555 0.0000
-2 13 0 538.3394 6.9515 523.3429 0.0000
-7 14 0 121.1141 1.6714 115.4700 0.0000
-4 14 0 122.3210 1.7090 -123.0701 0.0000
-1 14 0 24.0694 3.8232 6.6279 0.0000
-6 15 0 176.8026 1.4913 172.2617 0.0000
-3 15 0 90.4548 1.7936 -93.7547 0.0000
0 15 0 279.9206 4.4334 273.7043 0.0000
-8 16 0 126.9309 1.1216 -130.9372 0.0000
-5 16 0 229.7080 2.4010 224.8698 0.0000
-2 16 0 184.0971 2.1265 178.6451 0.0000
-7 17 0 24.8760 4.5431 11.6840 0.0000
-4 17 0 182.4897 1.4459 180.9359 0.0000
-1 17 0 77.1124 1.6872 -78.6405 0.0000
-9 18 0 386.5345 6.9321 381.9474 0.0000
-6 18 0 13.8329 8.0043 4.8236 0.0000
-3 18 0 123.4460 2.2659 120.7801 0.0000
0 18 0 286.0975 3.5466 291.7931 0.0000
-8 19 0 10.7764 9.2510 6.3116 0.0000
-5 19 0 79.7084 1.4912 -80.9647 0.0000
-2 19 0 20.7539 6.8506 10.2335 0.0000
-10 20 0 21.4255 8.0959 -14.5419 0.0000
-7 20 0 295.9307 4.6728 292.2212 0.0000
-4 20 0 168.5056 1.8996 169.7334 0.0000
-1 20 0 33.1050 5.5900 -23.3125 0.0000
-9 21 0 35.5450 3.4893 -29.8640 0.0000
-6 21 0 47.1114 2.9609 -44.3794 0.0000
-3 21 0 34.9160 4.7481 -31.7568 0.0000
0 21 0 36.0927 8.6129 -32.0536 0.0000
-11 22 0 296.7299 7.9520 296.0587 0.0000
-8 22 0 71.9916 2.1497 68.8776 0.0000
-5 22 0 73.5615 2.7146 72.4177 0.0000
-2 22 0 260.6535 0.9648 270.1882 0.0000
-10 23 0 47.2216 3.8795 -41.7661 0.0000
-7 23 0 38.0773 5.0614 34.2502 0.0000
-4 23 0 37.4533 5.9148 -35.3174 0.0000
-12 24 0 62.8754 7.3877 -62.1560 0.0000
-9 24 0 221.5604 1.0414 229.0588 0.0000
-6 24 0 97.5404 11.9283 102.1934 0.0000
-11 25 0 41.3809 5.1932 45.2464 0.0000
-8 25 0 43.0407 5.9597 -41.8202 0.0000
-2 3 1 100.8285 2.1239 104.4352 0.0000
-1 4 1 716.7112 1.3900 -680.7109 0.0000
-3 5 1 280.5588 2.4013 279.9379 0.0000
-5 6 1 592.3157 10.6615 -573.7227 0.0000
-2 6 1 143.1899 1.2567 141.9920 0.0000
-4 7 1 193.8373 1.4117 194.6313 0.0000
-1 7 1 341.8601 2.7323 345.2724 0.0000
-6 8 1 121.7948 1.3180 123.5051 0.0000
-3 8 1 468.3946 3.2362 -465.0786 0.0000
-8 9 1 183.6640 1.4087 180.8278 0.0000
-5 9 1 72.2846 1.4372 67.1578 0.0000
-2 9 1 7.7848 8.1113 6.1697 0.0000
-7 10 1 445.5991 4.0834 -437.5113 0.0000
-4 10 1 367.7067 3.5273 362.6103 0.0000
-1 10 1 150.0572 1.4542 -148.9074 0.0000
-9 11 1 27.7394 3.5712 -22.1665 0.0000
-6 11 1 43.8269 2.4397 -34.9798 0.0000
-3 11 1 83.5425 1.6991 -76.7587 0.0000
-11 12 1 118.7647 1.5717 113.9597 0.0000
-8 12 1 352.3107 2.9468 352.4032 0.0000
-5 12 1 232.4858 1.9977 -229.6904 0.0000
-2 12 1 196.4482 2.0249 192.8518 0.0000
-10 13 1 136.8975 1.8246 -134.9067 0.0000
-7 13 1 56.1355 1.6316 -50.5299 0.0000
-4 13 1 15.2067 5.9741 5.0962 0.0000
-1 13 1 223.5363 2.3893 -219.8770 0.0000
-12 14 1 209.6182 2.3219 208.0505 0.0000
-9 14 1 36.6869 2.6505 -30.2191 0.0000
-6 14 1 416.8759 3.1433 413.8952 0.0000
-3 14 1 25.8461 3.4267 -19.1705 0.0000
-14 15 1 253.3665 3.2566 -252.6806 0.0000
-11 15 1 27.4893 3.9735 -13.7735 0.0000
-8 15 1 226.5134 2.4365 -224.5844 0.0000
-5 15 1 262.5681 2.4792 -260.1001 0.0000
-2 15 1 62.8529 1.5883 63.9281 0.0000
-13 16 1 130.7378 1.5946 129.8864 0.0000
-10 16 1 234.8212 2.7577 233.8911 0.0000
-7 16 1 77.6856 2.0738 -75.7889 0.0000
-4 16 1 185.0360 2.2240 184.4402 0.0000
-1 16 1 223.2631 2.3856 220.6353 0.0000
-15 17 1 99.3771 1.3209 98.6336 0.0000
-12 17 1 318.8446 4.0119 -314.7175 0.0000
-9 17 1 99.2583 1.1452 -100.2013 0.0000
-6 17 1 36.2069 3.0437 27.9945 0.0000
-3 17 1 299.6708 3.9151 -295.3360 0.0000
-17 18 1 160.7024 1.9411 160.5686 0.0000
-14 18 1 107.7975 1.6314 108.1759 0.0000
-11 18 1 27.3171 3.8591 -19.7600 0.0000
-8 18 1 194.2033 2.8801 193.2386 0.0000
-5 18 1 103.2553 1.1352 104.1782 0.0000
-2 18 1 53.6956 2.2675 50.1499 0.0000
-16 19 1 236.8739 3.0162 -238.0587 0.0000
-13 19 1 121.0907 1.1966 121.8998 0.0000
-10 19 1 124.2217 1.8254 -122.1514 0.0000
-7 19 1 187.1076 2.7641 -184.8372 0.0000
-4 19 1 138.0880 0.9989 139.8692 0.0000
-1 19 1 118.2687 1.8767 -116.2101 0.0000
-18 20 1 0.0000 10.3174 -8.8652 0.0000
-15 20 1 15.2716 9.7496 -5.9442 0.0000
-12 20 1 53.0327 2.6628 47.6425 0.0000
-9 20 1 15.4578 9.2311 1.2846 0.0000
-6 20 1 55.3076 2.4687 51.0191 0.0000
-3 20 1 60.0834 2.5986 57.0225 0.0000
-20 21 1 83.9056 2.5517 -83.2954 0.0000
-17 21 1 139.3396 1.3635 139.9207 0.0000
-14 21 1 115.5407 1.9137 -114.2126 0.0000
-11 21 1 19.3213 6.8793 17.7289 0.0000
-8 21 1 141.1776 2.2326 143.0680 0.0000
-5 21 1 226.7619 12.1095 -228.1458 0.0000
-2 21 1 90.1963 5.7600 92.2880 0.0000
-19 22 1 84.4260 2.5288 -86.9384 0.0000
-16 22 1 34.1868 4.4553 -24.3535 0.0000
-13 22 1 37.3345 4.3690 30.9622 0.0000
-10 22 1 47.8426 3.1647 -44.1683 0.0000
-7 22 1 43.0599 3.8137 -45.0626 0.0000
-4 22 1 38.6795 5.1885 -38.9824 0.0000
-1 22 1 49.0993 4.7912 -47.5637 0.0000
-21 23 1 71.1191 3.5057 71.6383 0.0000
-18 23 1 107.0135 12.1183 -111.2832 0.0000
-15 23 1 206.4395 3.0659 211.1259 0.0000
-12 23 1 45.2796 3.5692 41.5438 0.0000
-9 23 1 72.0278 2.2479 -69.5112 0.0000
-6 23 1 178.4328 2.1041 183.6663 0.0000
-3 23 1 36.9429 6.7067 -38.9536 0.0000
-20 24 1 22.5084 17.1810 -35.1669 0.0000
-17 24 1 14.8613 12.4535 -5.2032 0.0000
-14 24 1 114.0562 1.9929 -113.4035 0.0000
-11 24 1 16.4939 11.8155 7.4838 0.0000
-8 24 1 86.2579 2.4513 -87.0926 0.0000
-5 24 1 90.6756 10.6331 -95.4046 0.0000
-16 25 1 38.7443 5.7112 -35.7208 0.0000
-13 25 1 108.9162 2.0219 113.0685 0.0000
-10 25 1 146.2588 1.8105 149.0109 0.0000
-2 2 2 667.8441 8.3107 -639.2838 0.0000
-1 3 2 35.2621 5.4383 70.2913 0.0000
-3 4 2 398.4106 3.1734 417.1860 0.0000
-5 5 2 67.2750 3.1041 -56.6985 0.0000
-2 5 2 124.2672 1.2574 -101.9037 0.0000
-4 6 2 258.8539 2.7576 -250.7909 0.0000
-1 6 2 19.0402 6.2083 8.8032 0.0000
-6 7 2 192.3572 2.1215 201.1404 0.0000
-3 7 2 67.9924 1.7887 -60.3074 0.0000
-8 8 2 28.8177 5.7963 -18.3136 0.0000
-5 8 2 242.9723 2.4538 252.1739 0.0000
-2 8 2 19.5328 5.2955 -10.7425 0.0000
-7 9 2 601.2696 31.0202 -586.9043 0.0000
-4 9 2 299.8146 1.8118 -294.3823 0.0000
-1 9 2 206.3186 1.3988 203.8143 0.0000
-9 10 2 78.5907 1.4253 79.7989 0.0000
-6 10 2 121.9236 1.2449 120.6106 0.0000
-3 10 2 174.9597 1.4330 176.8733 0.0000
0 10 2 131.7282 1.0508 131.6917 0.0000
-11 11 2 595.4830 0.8906 -581.8915 0.0000
-8 11 2 74.4559 1.3046 -72.4538 0.0000
-5 11 2 269.4924 1.9812 -262.0950 0.0000
-2 11 2 520.3154 4.3133 -510.9095 0.0000
-10 12 2 64.7898 1.7337 64.1598 0.0000
-7 12 2 36.9047 2.6254 -28.9806 0.0000
-4 12 2 140.8144 1.1669 142.1049 0.0000
-1 12 2 116.7262 1.5502 116.5407 0.0000
-12 13 2 111.3634 1.4309 113.3651 0.0000
-9 13 2 350.0354 4.0439 -348.1582 0.0000
-6 13 2 282.9094 2.1721 -279.4474 0.0000
-3 13 2 51.0706 1.9395 45.7788 0.0000
0 13 2 365.6033 4.1559 -365.5791 0.0000
-14 14 2 30.8313 5.3217 23.7742 0.0000
-11 14 2 25.6306 5.9864 21.7551 0.0000
-8 14 2 230.3050 1.6890 228.2120 0.0000
-5 14 2 155.9315 1.2404 -151.5898 0.0000
-2 14 2 25.5197 3.7222 16.9235 0.0000
-13 15 2 250.2318 2.7780 -250.6918 0.0000
-10 15 2 147.8466 1.0478 148.0236 0.0000
-7 15 2 56.7798 1.8106 -54.7224 0.0000
-4 15 2 285.6197 2.8149 -280.5941 0.0000
-1 15 2 84.8760 1.2626 82.2897 0.0000
-15 16 2 24.5917 4.9314 12.3442 0.0000
-12 16 2 12.4400 8.7128 3.6547 0.0000
-9 16 2 226.7930 2.2663 -226.2574 0.0000
-6 16 2 71.6255 1.7116 67.5318 0.0000
-3 16 2 69.2952 1.5079 -67.7129 0.0000
0 16 2 138.2947 2.2446 -136.7110 0.0000
-17 17 2 118.9172 3.3716 -117.2283 0.0000
-14 17 2 81.8291 1.5458 82.7099 0.0000
-11 17 2 90.3480 1.8886 -92.1657 0.0000
-8 17 2 23.2714 5.0704 -18.7660 0.0000
-5 17 2 136.2643 6.8193 139.1209 0.0000
-2 17 2 148.4543 1.6483 -147.7522 0.0000
-16 18 2 223.6080 2.9363 -223.9337 0.0000
-13 18 2 185.4392 1.9565 -186.1723 0.0000
-10 18 2 61.8803 2.3325 61.5407 0.0000
-7 18 2 275.8807 3.8982 -274.4669 0.0000
-4 18 2 121.7083 2.3989 -121.5457 0.0000
-1 18 2 37.8031 3.0758 37.1661 0.0000
-18 19 2 74.2390 2.0299 75.5545 0.0000
-15 19 2 33.4913 3.8007 -30.5387 0.0000
-12 19 2 106.4247 1.3579 106.8122 0.0000
-9 19 2 80.5799 1.6441 80.7868 0.0000
-6 19 2 0.0000 11.0270 -3.1199 0.0000
-3 19 2 81.4776 1.5966 81.1659 0.0000
0 19 2 30.4866 7.9912 34.7034 0.0000
-20 20 2 245.2583 8.0137 -246.6709 0.0000
-17 20 2 47.9565 2.7186 -40.0469 0.0000
-14 20 2 63.4723 1.8619 -62.3380 0.0000
-11 20 2 371.1965 3.5183 -369.8688 0.0000
-8 20 2 68.4037 1.8830 68.0130 0.0000
-5 20 2 141.3336 1.2952 -141.9196 0.0000
-2 20 2 251.6138 3.3436 -251.6895 0.0000
-19 21 2 75.5855 2.2971 72.8864 0.0000
-16 21 2 74.9825 2.2209 76.1727 0.0000
-13 21 2 20.3081 7.1432 14.8888 0.0000
-10 21 2 63.0437 2.3391 61.6265 0.0000
-7 21 2 63.4891 2.2485 61.2423 0.0000
-4 21 2 74.4712 2.4290 71.3003 0.0000
-1 21 2 69.0028 2.9454 70.1563 0.0000
-21 22 2 60.0284 3.8653 57.8359 0.0000
-18 22 2 193.0024 17.0638 -197.2466 0.0000
-15 22 2 180.3486 2.7523 -178.8151 0.0000
-12 22 2 49.3585 3.1422 48.2849 0.0000
-9 22 2 278.2349 4.3895 -278.1905 0.0000
-6 22 2 115.6857 1.4221 -114.8158 0.0000
-3 22 2 14.7057 12.1399 -5.4517 0.0000
0 22 2 223.6898 2.0957 -229.6292 0.0000
-20 23 2 11.7678 12.9750 2.6378 0.0000
-17 23 2 118.5309 9.7369 124.3502 0.0000
-14 23 2 39.1001 4.2833 -37.3962 0.0000
-11 23 2 25.7583 6.2768 19.8120 0.0000
-8 23 2 68.2693 2.1792 63.4342 0.0000
-5 23 2 4.1394 12.2677 -1.2299 0.0000
-2 23 2 42.3393 6.2318 38.8704 0.0000
-19 24 2 0.0000 13.3202 -15.1370 0.0000
-16 24 2 39.6424 4.3707 -36.2038 0.0000
-13 24 2 218.6438 2.8487 -220.5468 0.0000
-10 24 2 33.7140 5.2239 36.7744 0.0000
-7 24 2 82.9053 2.6387 -78.0898 0.0000
-15 25 2 54.4507 3.2215 50.8744 0.0000
-12 25 2 34.7720 5.8545 27.5409 0.0000
-9 25 2 71.6649 3.1595 -76.1060 0.0000
-1 2 3 356.8524 1.7165 357.1014 0.0000
-2 4 3 98.6249 1.6204 100.0006 0.0000
-4 5 3 446.3513 3.9049 -443.1957 0.0000
-1 5 3 202.0308 1.1255 -211.1325 0.0000
-3 6 3 653.8574 5.6666 663.5671 0.0000
-5 7 3 102.2370 1.2634 -102.2200 0.0000
-2 7 3 118.6161 1.0405 -118.9423 0.0000
-7 8 3 274.6394 1.9655 285.3365 0.0000
-4 8 3 288.1096 2.0645 -286.8077 0.0000
-1 8 3 468.0571 2.0308 465.8416 0.0000
-6 9 3 135.7036 0.8862 -139.9395 0.0000
-3 9 3 132.6197 1.3049 -136.8594 0.0000
-8 10 3 273.7917 1.8452 -272.8990 0.0000
-5 10 3 428.5204 2.8551 428.2752 0.0000
-2 10 3 173.2554 1.1070 -178.3428 0.0000
-10 11 3 27.5654 6.8384 4.1819 0.0000
-7 11 3 18.1933 5.7516 5.1157 0.0000
-4 11 3 22.3829 4.6099 17.3273 0.0000
-1 11 3 31.6968 2.9018 29.0147 0.0000
-9 12 3 72.1564 1.6911 72.5732 0.0000
-6 12 3 371.5831 2.1141 -370.2786 0.0000
-3 12 3 81.5956 1.4762 84.2655 0.0000
-11 13 3 125.2221 1.3534 -124.3357 0.0000
-8 13 3 164.8459 1.2411 163.6185 0.0000
-5 13 3 204.1998 1.5582 203.7481 0.0000
-2 13 3 9.1973 8.0835 3.9228 0.0000
-13 14 3 160.9722 2.0098 -161.9629 0.0000
-10 14 3 320.8050 3.7972 -321.7024 0.0000
-7 14 3 186.4840 1.4609 186.1073 0.0000
-4 14 3 294.9180 2.3984 -292.4788 0.0000
-1 14 3 205.4414 2.1375 -205.1138 0.0000
-12 15 3 317.6197 3.7462 320.0636 0.0000
-9 15 3 99.2976 1.1587 98.7175 0.0000
-6 15 3 93.8846 1.1791 93.8609 0.0000
-3 15 3 250.3004 2.3356 248.5114 0.0000
-14 16 3 19.9054 5.0768 -15.0479 0.0000
-11 16 3 14.4781 7.3255 8.3875 0.0000
-8 16 3 281.2378 1.4217 -279.6246 0.0000
-5 16 3 49.9296 2.0338 -47.9094 0.0000
-2 16 3 117.1111 0.9835 -117.5831 0.0000
-16 17 3 256.2913 3.6721 256.7640 0.0000
-13 17 3 37.4926 3.1272 -35.2194 0.0000
-10 17 3 158.9577 0.8645 160.7575 0.0000
-7 17 3 248.7694 1.8776 248.6919 0.0000
-4 17 3 102.6501 1.5570 -102.1340 0.0000
-1 17 3 257.0432 1.8810 256.1599 0.0000
-15 18 3 93.4434 1.5444 -90.3166 0.0000
-12 18 3 185.0049 1.8490 -185.2316 0.0000
-9 18 3 24.2486 4.7852 5.8029 0.0000
-6 18 3 179.3023 1.4062 -177.8738 0.0000
-3 18 3 67.0571 1.6474 -65.6675 0.0000
-17 19 3 54.7786 2.6235 -49.7485 0.0000
-14 19 3 277.3682 2.6951 278.8242 0.0000
-11 19 3 76.9971 1.6421 -73.6849 0.0000
-8 19 3 46.3455 2.9559 -40.1379 0.0000
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