#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/86/2008656.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_2008656_Fobs loop_ _publ_author_name 'Foces-Foces, C.' 'Cabildo, P.' 'Claramunt, R. M.' 'Elguero, J.' _publ_section_title ; 4-(1H-1,2,4-Triazol-1-yl)phenol ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1160 _journal_page_last 1163 _journal_volume 55 _journal_year 1999 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_data_source_file bm1323sup2.hkl _[local]_cod_data_source_block tzphoh 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 2 0 0 3.294 3.349 .152 o 1 4 0 0 46.555 47.017 .038 o 1 6 0 0 19.791 20.484 .019 o 1 8 0 0 4.675 4.615 .163 o 1 10 0 0 54.634 52.069 .062 o 1 12 0 0 12.482 12.406 .083 o 1 14 0 0 4.117 4.126 .261 o 1 16 0 0 1.180 1.488 .633 < 1 18 0 0 10.548 10.786 .111 o 1 20 0 0 .699 .149 .470 < 1 1 1 0 1.547 1.354 .334 o 1 2 1 0 27.637 28.310 .072 o 1 3 1 0 1.526 1.288 .478 o 1 4 1 0 8.004 8.160 .092 o 1 5 1 0 3.522 3.298 .288 o 1 6 1 0 1.309 .930 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1.027 .344 .616 o 1 14 4 0 11.930 11.477 .104 o 1 15 4 0 9.134 9.073 .128 o 1 16 4 0 1.854 1.874 .581 o 1 17 4 0 3.397 3.467 .265 o 1 18 4 0 2.670 2.771 .298 o 1 19 4 0 1.464 1.375 .544 o 1 1 5 0 7.622 7.369 .135 o 1 2 5 0 5.250 4.942 .185 o 1 3 5 0 7.949 7.700 .126 o 1 4 5 0 1.045 1.316 .579 o 1 5 5 0 3.891 3.929 .256 o 1 6 5 0 13.636 13.659 .091 o 1 7 5 0 2.971 2.850 .339 o 1 8 5 0 3.260 2.987 .311 o 1 9 5 0 4.399 4.696 .259 o 1 10 5 0 3.831 3.566 .256 o 1 11 5 0 1.682 1.241 .625 o 1 12 5 0 9.383 9.373 .119 o 1 13 5 0 1.191 1.453 .639 < 1 14 5 0 10.381 10.422 .125 o 1 15 5 0 9.409 9.394 .215 o 1 16 5 0 6.171 6.016 .156 o 1 17 5 0 1.532 1.774 .570 o 1 18 5 0 .195 8.049 .126 o 1 0 6 0 10.603 11.236 .173 o 1 1 6 0 16.027 16.137 .087 o 1 2 6 0 4.222 4.586 .384 o 1 3 6 0 5.725 5.972 .201 o 1 4 6 0 2.982 3.016 .349 o 1 5 6 0 10.902 11.083 .116 o 1 6 6 0 9.530 9.542 .126 o 1 7 6 0 8.267 8.269 .140 o 1 8 6 0 6.374 6.208 .169 o 1 9 6 0 8.202 7.825 .140 o 1 10 6 0 3.831 3.659 .256 o 1 11 6 0 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1 -7 2 1 7.118 6.913 .158 o 1 -6 2 1 13.080 13.178 .094 o 1 -5 2 1 13.541 13.606 .085 o 1 -4 2 1 4.953 5.024 .207 o 1 -3 2 1 23.832 24.307 .059 o 1 -2 2 1 4.841 4.694 .212 o 1 -1 2 1 110.648 108.497 .040 o 1 0 2 1 3.273 3.663 .302 o 1 1 2 1 11.063 11.819 .100 o 1 2 2 1 14.050 14.339 .081 o 1 3 2 1 19.904 20.999 .066 o 1 4 2 1 39.687 39.411 .052 o 1 5 2 1 3.502 3.052 .293 o 1 6 2 1 1.431 1.261 .693 o 1 7 2 1 2.385 2.166 .515 o 1 8 2 1 13.621 13.312 .099 o 1 9 2 1 23.487 23.246 .078 o 1 10 2 1 6.549 6.276 .198 o 1 11 2 1 6.439 6.458 .207 o 1 12 2 1 2.139 1.731 .670 o 1 13 2 1 11.630 11.421 .144 o 1 14 2 1 8.670 8.700 .190 o 1 15 2 1 16.918 17.306 .122 o 1 16 2 1 1.781 1.269 .759 o 1 17 2 1 2.258 2.704 .707 o 1 18 2 1 .842 .611 .566 < 1 19 2 1 3.093 2.771 .378 o 1 20 2 1 .844 .319 .548 < 1 -20 3 1 1.932 1.712 .605 o 1 -19 3 1 10.406 10.396 .146 o 1 -18 3 1 1.177 .920 .652 < 1 -17 3 1 3.425 3.044 .355 o 1 -16 3 1 5.385 5.738 .284 o 1 -15 3 1 2.306 2.598 .723 o 1 -14 3 1 8.199 8.298 .190 o 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