#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/82/2008210.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_2008210_Fobs loop_ _publ_author_name 'Foces-Foces, C.' 'Llamas-Saiz, A. L.' 'Lorente, P.' 'Golubev, N. S.' 'Limbach, H.-H.' _publ_section_title ; Three 2,4,6-trimethylpyridine--benzoic acid complexes at 150K ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 377 _journal_page_last 381 _journal_volume 55 _journal_year 1999 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_data_source_file bm1262IIIsup4.hkl _[local]_cod_data_source_block III loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma _refln_observed_status _refln_scale_group_code 1 0 0 61.560 58.939 .056 o 1 2 0 0 120.835 121.327 .082 o 1 3 0 0 11.790 11.028 .111 o 1 4 0 0 26.861 26.372 .129 o 1 5 0 0 42.104 39.778 .154 o 1 6 0 0 3.252 3.483 .268 o 1 7 0 0 11.458 12.295 .197 o 1 8 0 0 6.907 6.291 .186 o 1 1 1 0 16.207 16.174 .546 o 1 2 1 0 21.842 22.893 .736 o 1 3 1 0 27.187 25.347 .914 o 1 4 1 0 69.013 62.134 2.035 o 1 5 1 0 39.873 37.666 .937 o 1 6 1 0 .709 .756 .425 < 1 7 1 0 5.645 5.229 .158 o 1 8 1 0 9.684 8.977 .181 o 1 0 2 0 7.058 5.910 .102 o 1 1 2 0 235.427 230.252 .874 o 1 2 2 0 4.376 4.532 .220 o 1 3 2 0 36.234 37.011 1.252 o 1 4 2 0 17.806 16.790 .501 o 1 5 2 0 .561 .608 .364 < 1 6 2 0 .861 .393 .462 < 1 7 2 0 10.307 9.371 .138 o 1 8 2 0 9.459 8.794 .120 o 1 1 3 0 2.975 2.351 .134 o 1 2 3 0 19.172 19.919 .242 o 1 3 3 0 33.202 30.322 .954 o 1 4 3 0 2.876 1.671 1.393 o 1 5 3 0 10.844 11.986 .148 o 1 6 3 0 1.760 .951 .380 o 1 7 3 0 15.982 16.093 .405 o 1 8 3 0 2.830 3.311 .244 o 1 0 4 0 12.203 12.363 .137 o 1 1 4 0 25.980 24.496 .664 o 1 2 4 0 54.588 54.007 .328 o 1 3 4 0 6.719 6.064 .294 o 1 4 4 0 .762 1.213 .422 < 1 5 4 0 3.930 2.976 .180 o 1 6 4 0 2.738 3.483 .241 o 1 7 4 0 4.906 4.310 .179 o 1 1 5 0 8.187 8.003 .137 o 1 2 5 0 10.774 9.503 .127 o 1 3 5 0 8.589 8.375 .138 o 1 4 5 0 1.470 .903 .461 o 1 5 5 0 5.986 6.505 .159 o 1 6 5 0 20.191 19.924 .220 o 1 7 5 0 3.842 4.341 .213 o 1 0 6 0 6.039 6.140 .216 o 1 1 6 0 4.665 4.254 .478 o 1 2 6 0 4.980 4.225 .178 o 1 3 6 0 6.324 6.098 .164 o 1 4 6 0 5.863 6.050 .156 o 1 5 6 0 14.825 14.522 .190 o 1 6 6 0 6.418 7.104 .275 o 1 1 7 0 3.262 3.189 .210 o 1 2 7 0 8.479 8.124 .141 o 1 3 7 0 4.818 4.493 .170 o 1 4 7 0 2.814 2.412 .184 o 1 5 7 0 5.249 5.225 .197 o 1 0 8 0 3.064 3.763 .256 o 1 1 8 0 2.818 1.851 .181 o 1 2 8 0 8.970 8.414 .155 o 1 3 8 0 .777 .571 .430 o 1 -8 1 1 7.124 6.817 .186 o 1 -7 1 1 3.348 2.931 .258 o 1 -6 1 1 15.835 15.738 .183 o 1 -5 1 1 5.776 1.333 .189 o 1 -4 1 1 25.440 25.275 .133 o 1 -3 1 1 87.868 80.888 .109 o 1 -2 1 1 35.215 33.661 .088 o 1 -1 1 1 33.787 36.668 .069 o 1 0 1 1 23.980 25.192 .059 o 1 1 1 1 57.730 62.751 .069 o 1 2 1 1 58.979 60.792 .088 o 1 3 1 1 14.974 15.724 .113 o 1 4 1 1 60.679 58.001 .132 o 1 5 1 1 4.208 4.777 .221 o 1 6 1 1 12.563 11.643 .186 o 1 7 1 1 4.236 3.931 .240 o 1 8 1 1 5.184 4.950 .207 o 1 -8 2 1 1.194 .583 .508 < 1 -7 2 1 11.616 12.376 .193 o 1 -6 2 1 4.939 4.987 .230 o 1 -5 2 1 10.641 9.594 .171 o 1 -4 2 1 21.534 20.432 .143 o 1 -3 2 1 6.576 6.366 .142 o 1 -2 2 1 40.712 41.679 .102 o 1 -1 2 1 151.413 153.671 .088 o 1 0 2 1 121.780 121.629 .083 o 1 1 2 1 30.475 29.001 .090 o 1 2 2 1 32.789 35.765 .103 o 1 3 2 1 15.743 16.275 .124 o 1 4 2 1 19.353 19.494 .143 o 1 5 2 1 1.588 .768 .498 o 1 6 2 1 1.518 .939 .565 o 1 7 2 1 8.092 8.243 .201 o 1 8 2 1 5.629 5.713 .195 o 1 -8 3 1 2.583 1.987 .228 o 1 -7 3 1 19.840 19.374 .181 o 1 -6 3 1 12.280 12.429 .197 o 1 -5 3 1 17.387 17.470 .178 o 1 -4 3 1 31.028 29.183 .156 o 1 -3 3 1 14.849 13.558 .140 o 1 -2 3 1 35.891 35.727 .121 o 1 -1 3 1 7.299 6.451 .127 o 1 0 3 1 9.741 2.015 .116 o 1 1 3 1 53.219 54.671 .111 o 1 2 3 1 16.272 16.856 .124 o 1 3 3 1 57.712 56.903 .136 o 1 4 3 1 6.804 6.916 .178 o 1 5 3 1 4.256 3.668 .240 o 1 6 3 1 2.654 2.037 .321 o 1 7 3 1 5.181 5.077 .219 o 1 8 3 1 6.501 6.198 .162 o 1 -7 4 1 .581 .507 .391 < 1 -6 4 1 17.450 17.927 .188 o 1 -5 4 1 3.357 3.083 .287 o 1 -4 4 1 1.324 .068 .564 < 1 -3 4 1 25.279 24.479 .158 o 1 -2 4 1 50.236 48.721 .143 o 1 -1 4 1 26.954 27.335 .135 o 1 0 4 1 4.276 3.795 .183 o 1 1 4 1 7.400 6.264 .156 o 1 2 4 1 4.790 4.016 .200 o 1 3 4 1 5.512 4.846 .190 o 1 4 4 1 3.354 3.675 .254 o 1 5 4 1 11.394 12.140 .193 o 1 6 4 1 18.797 19.110 .188 o 1 7 4 1 3.297 3.519 .228 o 1 -7 5 1 2.054 1.750 .279 o 1 -6 5 1 11.598 12.099 .182 o 1 -5 5 1 5.397 5.121 .229 o 1 -4 5 1 7.825 7.109 .208 o 1 -3 5 1 2.489 2.138 .326 o 1 -2 5 1 2.990 2.905 .277 o 1 -1 5 1 11.748 10.764 .166 o 1 0 5 1 14.221 14.173 .162 o 1 1 5 1 10.943 10.399 .169 o 1 2 5 1 45.676 43.830 .167 o 1 3 5 1 7.293 7.353 .197 o 1 4 5 1 9.763 9.909 .197 o 1 5 5 1 8.253 8.159 .210 o 1 6 5 1 3.687 4.134 .260 o 1 7 5 1 8.063 8.101 .152 o 1 -6 6 1 1.168 1.892 .498 < 1 -5 6 1 10.942 11.143 .181 o 1 -4 6 1 .522 .428 .377 < 1 -3 6 1 16.821 16.583 .192 o 1 -2 6 1 15.161 14.563 .191 o 1 -1 6 1 11.782 10.666 .191 o 1 0 6 1 9.244 8.418 .198 o 1 1 6 1 9.767 8.408 .202 o 1 2 6 1 15.675 14.591 .191 o 1 3 6 1 2.416 2.039 .347 o 1 4 6 1 4.597 4.796 .244 o 1 5 6 1 7.367 6.774 .193 o 1 6 6 1 1.603 1.412 .422 o 1 -5 7 1 1.746 2.318 .377 o 1 -4 7 1 7.588 7.344 .181 o 1 -3 7 1 2.464 2.020 .286 o 1 -2 7 1 .700 1.612 .455 < 1 -1 7 1 4.077 4.589 .257 o 1 0 7 1 6.135 5.298 .227 o 1 1 7 1 14.846 14.132 .193 o 1 2 7 1 6.280 5.537 .213 o 1 3 7 1 4.532 4.547 .225 o 1 4 7 1 3.739 3.485 .230 o 1 5 7 1 6.876 7.130 .155 o 1 -3 8 1 4.770 4.711 .174 o 1 -2 8 1 1.081 .579 .460 < 1 -1 8 1 5.216 4.936 .194 o 1 0 8 1 3.901 3.522 .230 o 1 1 8 1 3.294 3.005 .244 o 1 2 8 1 5.710 4.935 .184 o 1 3 8 1 5.790 5.830 .166 o 1 -8 0 2 27.085 26.999 .171 o 1 -7 0 2 19.393 18.912 .189 o 1 -6 0 2 6.713 6.445 .199 o 1 -5 0 2 14.078 12.162 .158 o 1 -4 0 2 5.164 5.906 .164 o 1 -3 0 2 51.760 50.977 .106 o 1 -2 0 2 25.595 26.491 .084 o 1 -1 0 2 67.201 69.167 .060 o 1 0 0 2 11.585 13.066 .042 o 1 1 0 2 74.200 74.028 .061 o 1 2 0 2 27.041 28.050 .085 o 1 3 0 2 57.165 54.326 .106 o 1 4 0 2 22.159 21.053 .132 o 1 5 0 2 35.972 35.163 .156 o 1 6 0 2 1.382 2.414 .589 < 1 7 0 2 5.030 4.876 .232 o 1 8 0 2 2.398 1.911 .295 o 1 -8 1 2 15.486 15.417 .171 o 1 -7 1 2 1.244 .217 .602 < 1 -6 1 2 14.922 13.687 .186 o 1 -5 1 2 23.785 21.412 .158 o 1 -4 1 2 37.165 33.797 .133 o 1 -3 1 2 18.064 15.852 .112 o 1 -2 1 2 27.832 28.360 .090 o 1 -1 1 2 65.480 63.887 .070 o 1 0 1 2 46.998 49.229 .061 o 1 1 1 2 9.396 10.344 .079 o 1 2 1 2 18.003 19.196 .092 o 1 3 1 2 39.345 38.578 .111 o 1 4 1 2 17.812 16.894 .136 o 1 5 1 2 2.448 2.190 .282 o 1 6 1 2 3.216 2.567 .259 o 1 7 1 2 2.063 2.381 .446 o 1 8 1 2 8.059 8.048 .180 o 1 -8 2 2 2.216 2.111 .288 o 1 -7 2 2 18.661 18.129 .188 o 1 -6 2 2 20.761 20.392 .185 o 1 -5 2 2 3.480 2.801 .241 o 1 -4 2 2 12.151 13.103 .149 o 1 -3 2 2 20.114 19.915 .122 o 1 -2 2 2 41.330 40.727 .103 o 1 -1 2 2 72.700 72.135 .090 o 1 0 2 2 44.860 45.152 .085 o 1 1 2 2 7.900 9.511 .106 o 1 2 2 2 5.965 7.323 .127 o 1 3 2 2 34.435 36.975 .122 o 1 4 2 2 13.113 13.312 .148 o 1 5 2 2 14.328 13.761 .170 o 1 6 2 2 12.265 12.883 .190 o 1 7 2 2 5.331 6.647 .227 o 1 8 2 2 3.286 3.654 .238 o 1 -8 3 2 2.705 2.676 .230 o 1 -7 3 2 5.105 4.903 .224 o 1 -6 3 2 11.985 9.784 .194 o 1 -5 3 2 29.038 27.426 .176 o 1 -4 3 2 5.439 4.786 .184 o 1 -3 3 2 7.293 7.551 .155 o 1 -2 3 2 12.189 11.484 .127 o 1 -1 3 2 23.116 22.269 .113 o 1 0 3 2 28.000 28.444 .108 o 1 1 3 2 .574 .078 .373 < 1 2 3 2 10.216 10.520 .133 o 1 3 3 2 43.271 44.932 .137 o 1 4 3 2 .637 .632 .413 < 1 5 3 2 8.838 8.935 .193 o 1 6 3 2 2.780 2.974 .322 o 1 7 3 2 8.760 8.308 .194 o 1 8 3 2 6.240 6.121 .165 o 1 -7 4 2 4.596 4.619 .208 o 1 -6 4 2 14.475 14.043 .191 o 1 -5 4 2 22.208 21.820 .187 o 1 -4 4 2 10.155 10.023 .185 o 1 -3 4 2 10.283 11.070 .168 o 1 -2 4 2 56.127 55.325 .143 o 1 -1 4 2 73.403 73.600 .135 o 1 0 4 2 8.439 8.426 .149 o 1 1 4 2 16.082 16.196 .139 o 1 2 4 2 20.234 19.945 .146 o 1 3 4 2 19.821 19.643 .159 o 1 4 4 2 18.125 18.208 .177 o 1 5 4 2 7.076 7.560 .215 o 1 6 4 2 7.694 8.339 .204 o 1 7 4 2 7.072 7.306 .185 o 1 -7 5 2 8.978 9.269 .152 o 1 -6 5 2 7.369 7.891 .196 o 1 -5 5 2 9.566 9.772 .202 o 1 -4 5 2 1.566 .343 .582 < 1 -3 5 2 11.515 10.952 .187 o 1 -2 5 2 14.344 14.013 .173 o 1 -1 5 2 12.293 11.746 .167 o 1 0 5 2 1.119 .175 .542 < 1 1 5 2 4.765 4.004 .208 o 1 2 5 2 22.550 21.346 .170 o 1 3 5 2 2.617 2.493 .304 o 1 4 5 2 3.079 3.242 .303 o 1 5 5 2 9.161 8.950 .204 o 1 6 5 2 6.308 6.174 .197 o 1 7 5 2 6.965 6.858 .157 o 1 -6 6 2 1.331 1.674 .495 < 1 -5 6 2 1.129 .645 .546 < 1 -4 6 2 1.457 1.821 .620 < 1 -3 6 2 20.417 20.366 .191 o 1 -2 6 2 21.344 21.358 .188 o 1 -1 6 2 2.637 2.564 .308 o 1 0 6 2 1.725 .777 .541 o 1 1 6 2 2.198 2.507 .475 o 1 2 6 2 6.422 5.669 .218 o 1 3 6 2 9.626 8.934 .202 o 1 4 6 2 3.507 3.686 .280 o 1 5 6 2 13.981 14.022 .176 o 1 6 6 2 4.063 3.725 .190 o 1 -5 7 2 .912 .209 .442 < 1 -4 7 2 7.172 6.886 .184 o 1 -3 7 2 2.755 2.693 .268 o 1 -2 7 2 9.668 9.731 .190 o 1 -1 7 2 1.585 .196 .497 o 1 0 7 2 5.571 4.604 .228 o 1 1 7 2 6.835 6.425 .217 o 1 2 7 2 2.911 3.069 .316 o 1 3 7 2 7.298 7.278 .195 o 1 4 7 2 10.083 10.171 .171 o 1 -3 8 2 3.171 4.156 .209 o 1 -2 8 2 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21.328 .145 o 1 5 2 3 2.354 2.705 .311 o 1 6 2 3 6.910 7.059 .209 o 1 7 2 3 11.975 12.180 .191 o 1 8 2 3 .810 .786 .449 < 1 -8 3 3 1.423 1.557 .446 o 1 -7 3 3 1.323 2.308 .564 < 1 -6 3 3 3.737 4.384 .272 o 1 -5 3 3 18.999 17.693 .178 o 1 -4 3 3 6.081 6.045 .189 o 1 -3 3 3 27.937 26.591 .138 o 1 -2 3 3 5.616 4.488 .156 o 1 -1 3 3 5.831 5.639 .135 o 1 0 3 3 11.308 11.303 .118 o 1 1 3 3 16.219 16.505 .116 o 1 2 3 3 22.352 22.156 .125 o 1 3 3 3 .737 .081 .442 < 1 4 3 3 1.061 .267 .514 < 1 5 3 3 3.001 2.992 .281 o 1 6 3 3 17.609 17.407 .189 o 1 7 3 3 6.662 7.153 .208 o 1 8 3 3 2.790 2.570 .209 o 1 -7 4 3 2.780 2.626 .272 o 1 -6 4 3 7.997 7.675 .206 o 1 -5 4 3 15.142 14.393 .191 o 1 -4 4 3 5.706 6.025 .209 o 1 -3 4 3 18.824 18.997 .161 o 1 -2 4 3 17.158 16.535 .149 o 1 -1 4 3 66.381 67.104 .136 o 1 0 4 3 13.658 14.900 .139 o 1 1 4 3 15.869 16.196 .140 o 1 2 4 3 15.164 16.468 .149 o 1 3 4 3 19.049 18.944 .160 o 1 4 4 3 5.318 4.653 .214 o 1 5 4 3 7.624 7.497 .204 o 1 6 4 3 7.441 8.417 .209 o 1 7 4 3 4.274 4.403 .214 o 1 -7 5 3 2.779 2.468 .225 o 1 -6 5 3 7.410 7.747 .192 o 1 -5 5 3 7.589 7.410 .210 o 1 -4 5 3 9.781 10.059 .203 o 1 -3 5 3 7.325 6.924 .202 o 1 -2 5 3 4.652 4.404 .228 o 1 -1 5 3 5.727 6.098 .199 o 1 0 5 3 14.324 14.098 .164 o 1 1 5 3 12.111 11.440 .170 o 1 2 5 3 5.924 6.946 .209 o 1 3 5 3 10.874 10.182 .189 o 1 4 5 3 13.314 13.273 .193 o 1 5 5 3 3.967 3.417 .266 o 1 6 5 3 5.672 5.340 .201 o 1 7 5 3 10.241 10.112 .147 o 1 -6 6 3 9.298 9.568 .155 o 1 -5 6 3 11.031 10.833 .180 o 1 -4 6 3 15.904 15.624 .190 o 1 -3 6 3 4.514 4.225 .257 o 1 -2 6 3 39.646 40.292 .186 o 1 -1 6 3 .456 .322 .324 < 1 0 6 3 13.543 12.117 .187 o 1 1 6 3 2.717 2.442 .331 o 1 2 6 3 10.027 9.766 .200 o 1 3 6 3 4.647 4.445 .254 o 1 4 6 3 16.079 15.585 .190 o 1 5 6 3 6.820 6.903 .193 o 1 6 6 3 .662 .078 .397 < 1 -5 7 3 2.222 2.221 .253 o 1 -4 7 3 4.905 4.543 .203 o 1 -3 7 3 5.797 6.035 .206 o 1 -2 7 3 6.374 6.916 .207 o 1 -1 7 3 6.749 6.146 .209 o 1 0 7 3 .963 .237 .533 < 1 1 7 3 9.245 8.566 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1 1 4 9.407 10.448 .086 o 1 2 1 4 7.838 8.247 .108 o 1 3 1 4 2.293 1.852 .220 o 1 4 1 4 19.351 20.175 .139 o 1 5 1 4 22.577 22.582 .162 o 1 6 1 4 11.958 11.189 .189 o 1 7 1 4 15.818 15.325 .189 o 1 8 1 4 4.565 4.896 .210 o 1 -8 2 4 11.483 10.982 .165 o 1 -7 2 4 .951 1.996 .527 < 1 -6 2 4 6.688 5.807 .212 o 1 -5 2 4 10.445 10.061 .177 o 1 -4 2 4 34.528 33.885 .144 o 1 -3 2 4 32.291 30.501 .123 o 1 -2 2 4 25.977 26.839 .107 o 1 -1 2 4 96.715 93.768 .094 o 1 0 2 4 41.703 43.978 .090 o 1 1 2 4 20.310 22.137 .096 o 1 2 2 4 22.199 25.432 .109 o 1 3 2 4 1.105 .475 .470 < 1 4 2 4 5.837 6.831 .171 o 1 5 2 4 5.942 6.483 .200 o 1 6 2 4 15.207 15.551 .190 o 1 7 2 4 12.149 12.118 .194 o 1 8 2 4 8.083 7.690 .170 o 1 -8 3 4 1.382 1.162 .433 o 1 -7 3 4 8.888 9.177 .192 o 1 -6 3 4 12.856 12.627 .195 o 1 -5 3 4 10.553 10.262 .187 o 1 -4 3 4 17.548 16.525 .161 o 1 -3 3 4 12.929 12.965 .145 o 1 -2 3 4 47.308 46.120 .124 o 1 -1 3 4 19.614 19.364 .116 o 1 0 3 4 26.878 27.455 .112 o 1 1 3 4 3.308 3.160 .182 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4.160 4.296 .223 o 1 -2 2 27 1.792 1.274 .472 o 1 -1 2 27 .720 .001 .467 < 1 0 2 27 9.268 9.353 .196 o 1 1 2 27 7.780 7.818 .205 o 1 2 2 27 6.238 6.260 .201 o 1 3 2 27 .850 1.654 .471 < 1 4 2 27 .844 .025 .453 < 1 -4 3 27 1.505 2.105 .472 o 1 -3 3 27 3.928 4.800 .214 o 1 -2 3 27 18.908 18.249 .171 o 1 -1 3 27 3.723 3.214 .254 o 1 0 3 27 4.328 4.323 .248 o 1 1 3 27 .985 .229 .529 < 1 2 3 27 15.338 14.855 .166 o 1 3 3 27 .593 .387 .385 < 1 -2 4 27 2.747 2.743 .245 o 1 -1 4 27 3.720 3.804 .223 o 1 0 4 27 1.571 1.827 .493 o 1 1 4 27 2.625 2.734 .251 o 1 2 4 27 .538 .510 .362 < 1 -4 0 28 8.892 9.206 .167 o 1 -3 0 28 5.964 6.007 .205 o 1 -2 0 28 5.084 4.433 .224 o 1 -1 0 28 .578 .043 .398 < 1 0 0 28 27.851 26.871 .183 o 1 1 0 28 9.135 8.458 .198 o 1 2 0 28 7.120 7.077 .194 o 1 3 0 28 14.225 14.164 .166 o 1 4 0 28 2.863 2.037 .212 o 1 -4 1 28 3.566 3.734 .214 o 1 -3 1 28 2.767 2.878 .283 o 1 -2 1 28 11.808 11.503 .184 o 1 -1 1 28 18.824 18.171 .184 o 1 0 1 28 10.195 10.020 .194 o 1 1 1 28 9.933 9.656 .195 o 1 2 1 28 4.223 4.107 .225 o 1 3 1 28 3.866 3.007 .211 o 1 -4 2 28 9.587 9.540 .150 o 1 -3 2 28 4.730 4.616 .203 o 1 -2 2 28 .637 .503 .414 < 1 -1 2 28 8.548 7.940 .193 o 1 0 2 28 3.223 3.034 .267 o 1 1 2 28 14.540 14.161 .177 o 1 2 2 28 .666 1.461 .432 < 1 3 2 28 5.590 5.913 .178 o 1 -3 3 28 5.552 6.193 .177 o 1 -2 3 28 10.254 10.148 .169 o 1 -1 3 28 11.450 11.330 .175 o 1 0 3 28 12.366 11.759 .171 o 1 1 3 28 4.373 4.493 .208 o 1 2 3 28 3.622 2.831 .212 o 1 -2 4 28 2.499 2.327 .259 o 1 -1 4 28 9.892 9.423 .154 o 1 0 4 28 6.044 5.328 .167 o 1 1 4 28 3.987 4.035 .182 o 1 -4 1 29 2.554 2.289 .222 o 1 -3 1 29 12.357 12.399 .165 o 1 -2 1 29 10.251 9.424 .178 o 1 -1 1 29 2.340 2.687 .312 o 1 0 1 29 .558 .188 .384 < 1 1 1 29 7.198 6.885 .187 o 1 2 1 29 1.777 3.018 .468 o 1 3 1 29 2.671 1.561 .215 o 1 -3 2 29 1.177 1.554 .501 < 1 -2 2 29 3.712 2.927 .229 o 1 -1 2 29 6.532 6.924 .193 o 1 0 2 29 7.473 7.146 .189 o 1 1 2 29 6.017 6.127 .193 o 1 2 2 29 5.197 5.608 .189 o 1 3 2 29 1.474 1.133 .388 o 1 -2 3 29 13.081 12.656 .152 o 1 -1 3 29 7.187 6.757 .168 o 1 0 3 29 6.091 5.342 .181 o 1 1 3 29 .716 .824 .429 < 1 2 3 29 5.605 5.231 .162 o 1 -3 0 30 1.001 1.703 .485 < 1 -2 0 30 8.631 8.589 .177 o 1 -1 0 30 9.066 8.497 .182 o 1 0 0 30 .486 .282 .351 < 1 1 0 30 .603 .287 .406 < 1 2 0 30 7.945 7.295 .166 o 1 -3 1 30 1.940 1.475 .286 o 1 -2 1 30 5.940 6.283 .191 o 1 -1 1 30 14.298 13.708 .168 o 1 0 1 30 2.813 2.791 .262 o 1 1 1 30 4.128 3.225 .206 o 1 2 1 30 2.019 1.646 .287 o 1 -2 2 30 1.527 3.087 .478 o 1 -1 2 30 2.184 2.000 .287 o 1 0 2 30 9.542 9.058 .170 o 1 1 2 30 6.623 6.347 .169 o 1 2 2 30 13.427 12.436 .147 o 1 -1 3 30 .806 .443 .433 < 1 0 3 30 7.107 6.629 .161 o 1 -2 1 31 6.589 7.141 .161 o 1 -1 1 31 4.047 4.336 .204 o 1 0 1 31 7.172 7.635 .170 o 1 1 1 31 .855 .082 .459 < 1 -1 2 31 7.340 5.954 .157 o 1 0 2 31 2.331 2.726 .246 o 1 1 2 31 2.154 1.685 .237 o 1 -1 0 32 5.519 5.140 .170 o 1 0 0 32 12.082 12.602 .148 o 1 -1 1 32 8.250 7.942 .152 o 1 0 1 32 7.538 6.603 .153 o 1 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? .245591