#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/56/2015680.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_2015680_Fobs loop_ _publ_author_name 'Xu, Guo-Hai' 'Ma, Jian-Fang' 'Liu, Ying-Ying' 'Li, Shun-Li' _publ_section_title ; Chloro(\m-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV) ; _journal_coeditor_code FA3038 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m581 _journal_page_last m583 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.122 _cell_angle_beta 91.784 _cell_angle_gamma 94.944 _cell_length_a 12.7670 _cell_length_b 14.0950 _cell_length_c 15.9670 _exptl_crystal_F_000 1270.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file fa3038Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 080 in P-1' _shelx_refln_list_code 3 _shelx_f_calc_maximum 257.88 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_sigma _refln_A_calc _refln_B_calc 1 0 0 20.6803 5.6403 -14.7105 0.0000 5 0 0 114.0386 1.7595 -116.1091 0.0000 6 0 0 50.4803 1.6546 50.9981 0.0000 7 0 0 69.2397 1.9619 -72.5587 0.0000 8 0 0 106.1943 1.9572 106.9472 0.0000 9 0 0 48.4228 1.8835 49.9460 0.0000 10 0 0 33.9645 1.5970 35.9475 0.0000 11 0 0 55.3042 1.7272 -53.7560 0.0000 12 0 0 34.0234 2.0598 -35.1539 0.0000 13 0 0 34.2961 2.0854 -34.9177 0.0000 14 0 0 15.2108 3.1242 13.7478 0.0000 15 0 0 3.4864 5.7083 0.3606 0.0000 -15 1 0 4.3482 5.3396 0.4334 0.0000 -14 1 0 17.9440 2.8088 -18.0475 0.0000 -13 1 0 0.0000 5.3077 2.3569 0.0000 -12 1 0 42.9572 1.7208 -42.2296 0.0000 -11 1 0 9.6436 4.3305 9.7182 0.0000 -10 1 0 25.5380 1.8232 -23.4707 0.0000 -9 1 0 82.3483 1.9527 81.5991 0.0000 -8 1 0 72.7493 1.9861 75.5045 0.0000 -7 1 0 58.6692 1.9063 59.0534 0.0000 -6 1 0 104.7962 1.8276 -105.8404 0.0000 -5 1 0 23.4905 1.1035 -22.5303 0.0000 -4 1 0 39.3079 1.3677 37.0163 0.0000 -3 1 0 149.8193 1.4386 150.2883 0.0000 1 1 0 204.8669 4.6627 205.5569 0.0000 2 1 0 51.1890 1.3409 49.6324 0.0000 4 1 0 110.8234 1.6459 -112.4858 0.0000 5 1 0 14.6450 1.5733 17.3886 0.0000 6 1 0 10.7007 2.1981 12.1327 0.0000 8 1 0 14.8250 2.2341 -13.8800 0.0000 9 1 0 23.6326 1.7671 24.3529 0.0000 10 1 0 3.8395 4.9091 3.2174 0.0000 11 1 0 4.1384 5.3713 0.3797 0.0000 12 1 0 41.4181 1.7964 -40.4315 0.0000 13 1 0 26.9083 2.3904 -28.8318 0.0000 14 1 0 4.6607 5.7379 -8.2545 0.0000 15 1 0 20.7653 2.7739 17.9322 0.0000 -15 2 0 2.1603 5.3713 -0.8228 0.0000 -14 2 0 23.9873 2.4814 -24.0414 0.0000 -13 2 0 9.6165 4.7919 -7.7041 0.0000 -12 2 0 18.7503 2.4320 -17.8739 0.0000 -11 2 0 8.7237 4.5670 7.9768 0.0000 -10 2 0 27.5723 1.8106 27.5819 0.0000 -9 2 0 57.6099 1.9164 55.3725 0.0000 -8 2 0 57.4579 1.9465 56.8806 0.0000 -7 2 0 66.6464 1.9158 65.8322 0.0000 -6 2 0 60.7543 1.8646 -60.4913 0.0000 -5 2 0 89.2184 1.7970 -91.5444 0.0000 -4 2 0 80.4403 1.7126 -79.9622 0.0000 -3 2 0 142.4969 1.4923 142.3270 0.0000 -1 2 0 183.1848 1.4910 192.0723 0.0000 1 2 0 48.2286 0.9157 -48.0005 0.0000 2 2 0 152.6990 1.3737 -147.0117 0.0000 3 2 0 9.8858 1.6023 6.4826 0.0000 4 2 0 145.5270 1.6888 -145.7514 0.0000 5 2 0 30.5294 1.2578 29.1844 0.0000 6 2 0 14.2642 1.8172 12.8175 0.0000 7 2 0 94.9892 1.9253 96.5149 0.0000 8 2 0 5.1084 4.4750 2.8365 0.0000 9 2 0 5.3443 4.4369 4.5496 0.0000 10 2 0 46.5806 1.6900 -49.3862 0.0000 11 2 0 0.0000 5.4028 -5.0657 0.0000 12 2 0 36.2355 1.9076 -35.6032 0.0000 13 2 0 0.6985 5.5881 0.1877 0.0000 14 2 0 5.1674 5.6184 -5.6894 0.0000 -15 3 0 10.3800 5.6418 -11.9345 0.0000 -14 3 0 3.3971 5.4341 4.7198 0.0000 -13 3 0 35.9244 2.0310 -37.1708 0.0000 -12 3 0 0.0000 5.1782 -2.7339 0.0000 -11 3 0 6.8265 4.7815 9.1993 0.0000 -10 3 0 67.5188 1.8698 69.8284 0.0000 -9 3 0 3.9237 4.8042 -6.1462 0.0000 -8 3 0 41.6922 1.4852 42.0111 0.0000 -7 3 0 58.4936 1.9941 -56.4068 0.0000 -6 3 0 47.0466 1.5815 47.1204 0.0000 -5 3 0 20.5819 1.2827 18.8558 0.0000 -4 3 0 4.2890 3.3468 1.5161 0.0000 -3 3 0 79.4246 1.6076 -82.0005 0.0000 -2 3 0 9.4247 1.6298 11.5747 0.0000 0 3 0 52.6786 1.6812 53.1893 0.0000 1 3 0 203.7719 1.5194 -205.3485 0.0000 2 3 0 5.7080 2.8592 -7.5977 0.0000 3 3 0 162.4974 1.6070 -162.5673 0.0000 4 3 0 47.0298 1.6331 46.4450 0.0000 5 3 0 106.4042 1.8676 -106.3891 0.0000 7 3 0 8.5223 3.0978 5.5069 0.0000 8 3 0 98.5457 1.8607 98.7447 0.0000 9 3 0 20.6031 2.0502 -20.8780 0.0000 10 3 0 16.7440 2.6374 16.0259 0.0000 11 3 0 66.6673 1.8144 -67.5185 0.0000 12 3 0 2.8512 5.6485 2.3296 0.0000 13 3 0 9.5574 5.4744 -9.8886 0.0000 14 3 0 20.2388 2.9884 21.4953 0.0000 -14 4 0 18.6612 2.9838 -18.0062 0.0000 -13 4 0 11.3833 3.6686 9.8970 0.0000 -12 4 0 31.2858 2.0099 -32.4346 0.0000 -11 4 0 20.9380 2.1091 21.8196 0.0000 -10 4 0 11.7890 3.0945 8.8626 0.0000 -9 4 0 100.5934 1.8706 102.1489 0.0000 -8 4 0 27.8674 1.5502 -26.9219 0.0000 -7 4 0 23.7075 1.5590 -22.7519 0.0000 -6 4 0 183.7680 1.8337 -183.1947 0.0000 -5 4 0 27.6056 1.1824 -27.7263 0.0000 -4 4 0 7.5646 2.4113 3.8925 0.0000 -3 4 0 98.6449 1.6496 97.5254 0.0000 -1 4 0 28.4252 0.8298 30.1859 0.0000 0 4 0 38.6938 1.0939 40.5776 0.0000 1 4 0 156.1682 1.0810 155.2850 0.0000 2 4 0 184.1507 1.6057 -183.4316 0.0000 3 4 0 176.0626 0.2720 -176.1016 0.0000 4 4 0 59.0536 1.8289 -60.5327 0.0000 5 4 0 74.1757 1.8961 74.1329 0.0000 6 4 0 40.5382 1.7880 40.8219 0.0000 7 4 0 42.2785 1.6803 42.5810 0.0000 8 4 0 16.5987 2.1400 -14.9188 0.0000 9 4 0 11.5737 3.1106 9.8836 0.0000 10 4 0 10.6839 3.7740 -9.6772 0.0000 11 4 0 14.7963 3.0495 -16.4949 0.0000 12 4 0 29.8380 2.1718 -27.9852 0.0000 13 4 0 0.8223 5.5270 0.2248 0.0000 14 4 0 20.6368 3.0936 21.6900 0.0000 -14 5 0 27.6538 2.4995 -24.4684 0.0000 -13 5 0 7.2138 5.7968 -7.4161 0.0000 -12 5 0 0.0000 5.6785 6.8520 0.0000 -11 5 0 13.6330 2.9576 10.9988 0.0000 -10 5 0 7.5349 4.5231 -7.4601 0.0000 -9 5 0 20.3584 2.1692 20.0652 0.0000 -8 5 0 8.0214 4.1889 11.1712 0.0000 -7 5 0 21.8609 1.7347 22.6616 0.0000 -6 5 0 63.0691 1.9560 -63.6713 0.0000 -5 5 0 126.8871 1.8385 -123.5166 0.0000 -4 5 0 55.7127 1.8524 -55.6199 0.0000 -3 5 0 104.2275 1.6672 101.5464 0.0000 -2 5 0 75.3636 1.6560 74.5648 0.0000 -1 5 0 28.7310 0.7268 29.3321 0.0000 0 5 0 14.2226 0.9069 12.0860 0.0000 2 5 0 29.3380 1.0308 27.3860 0.0000 3 5 0 38.2218 1.4945 -40.2818 0.0000 4 5 0 123.5456 1.8106 -121.7352 0.0000 5 5 0 9.2827 2.5338 9.8147 0.0000 6 5 0 59.6951 1.9701 60.4557 0.0000 7 5 0 98.2304 1.9351 97.9637 0.0000 8 5 0 13.8852 2.4199 -12.5180 0.0000 9 5 0 5.3964 4.9435 -5.7324 0.0000 10 5 0 44.6987 1.6753 -44.6931 0.0000 11 5 0 20.0284 2.3967 20.3219 0.0000 12 5 0 15.4873 3.4093 -14.9195 0.0000 13 5 0 0.0000 5.7674 -1.0086 0.0000 14 5 0 0.0000 5.8550 -0.5622 0.0000 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-3.9992 0.0000 13 7 0 15.2109 3.4397 14.4755 0.0000 -13 8 0 14.0631 3.8911 13.2348 0.0000 -12 8 0 17.2579 3.1986 17.5107 0.0000 -11 8 0 24.9492 2.3665 24.9162 0.0000 -10 8 0 7.5040 5.4028 10.5984 0.0000 -9 8 0 13.9930 2.8815 11.1796 0.0000 -8 8 0 16.4053 2.3700 -16.8751 0.0000 -7 8 0 11.6484 2.8846 -11.3429 0.0000 -6 8 0 67.0836 1.8747 -67.1497 0.0000 -5 8 0 7.9748 3.3707 7.4762 0.0000 -4 8 0 26.6460 1.4772 27.5340 0.0000 -3 8 0 108.0772 1.8432 110.0776 0.0000 -2 8 0 24.7311 1.3975 -24.9565 0.0000 -1 8 0 17.7275 1.1253 18.2151 0.0000 0 8 0 67.2404 1.5063 -66.0530 0.0000 1 8 0 33.5602 0.9721 31.9800 0.0000 2 8 0 66.8873 1.8443 -66.4202 0.0000 3 8 0 29.7290 1.4047 -30.9771 0.0000 4 8 0 32.5469 1.3421 -31.7413 0.0000 5 8 0 57.9524 1.8222 56.4644 0.0000 6 8 0 28.3767 1.6916 29.6389 0.0000 7 8 0 23.0250 1.8763 23.3397 0.0000 8 8 0 41.4720 1.7825 -42.3734 0.0000 9 8 0 14.5914 2.9936 -12.5944 0.0000 10 8 0 22.1022 2.4976 -23.2656 0.0000 11 8 0 10.8045 4.2206 -9.1756 0.0000 12 8 0 8.6247 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