#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:59:13 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180936 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/16/2201654.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_2201654_Fobs loop_ _publ_author_name 'Kickelbick, Guido' 'St\"ohr, Frank' 'Schubert, Ulrich' _publ_section_title ; Chloromethyl(\h^4^-norbornadiene)platinum(II), an unsymmetrical substituted precursor for Pt^II^ complexes ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m387 _journal_page_last m388 _journal_volume 58 _journal_year 2002 _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 120.636 _cell_angle_gamma 90.000 _cell_length_a 13.0526 _cell_length_b 11.8020 _cell_length_c 12.6014 _exptl_crystal_F_000 1208.00 _reflns_d_resolution_high 0.7497 _cod_data_source_file wn6105Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' fs6 in C2/c' _shelx_refln_list_code 3 _shelx_f_calc_maximum 636.51 #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_meas _refln_F_sigma _refln_A_calc _refln_B_calc 2 0 0 295.6188 6.1768 -350.7760 0.0000 4 0 0 456.3507 11.0917 -421.4495 0.0000 6 0 0 391.5154 4.8994 346.0813 0.0000 8 0 0 129.6119 1.3713 108.1272 0.0000 14 0 0 105.7628 2.0216 116.1604 0.0000 1 1 0 239.7990 5.6494 186.2338 0.0000 3 1 0 319.1277 10.0987 -326.7549 0.0000 5 1 0 30.3363 1.7160 22.3769 0.0000 7 1 0 257.8922 4.8363 247.2852 0.0000 9 1 0 150.7232 1.5206 -144.8664 0.0000 11 1 0 85.9562 2.0513 -77.0533 0.0000 13 1 0 114.9247 3.7960 115.0231 0.0000 2 2 0 171.0890 0.7758 -129.8839 0.0000 4 2 0 65.6930 1.9179 -72.4112 0.0000 6 2 0 61.0301 1.5513 65.2966 0.0000 8 2 0 6.2250 2.8471 17.9735 0.0000 10 2 0 34.3315 1.5078 -42.5252 0.0000 12 2 0 24.1435 2.9078 7.7158 0.0000 14 2 0 27.5907 2.0036 20.7961 0.0000 1 3 0 257.8065 4.8626 -166.1601 0.0000 3 3 0 221.2066 2.7146 249.9849 0.0000 5 3 0 19.8196 2.7800 -5.5881 0.0000 7 3 0 185.8326 1.4627 -168.1409 0.0000 9 3 0 80.7903 2.1597 79.4355 0.0000 11 3 0 81.1494 2.0938 67.3409 0.0000 13 3 0 63.8038 2.5886 -78.6799 0.0000 0 4 0 450.4268 17.1684 -487.2746 0.0000 2 4 0 118.2822 1.0928 129.9650 0.0000 4 4 0 306.0115 4.3560 339.8068 0.0000 6 4 0 270.7063 6.9394 -274.0357 0.0000 8 4 0 86.5730 2.7519 -92.9226 0.0000 10 4 0 229.3008 1.0678 228.8152 0.0000 12 4 0 64.2237 3.0304 -61.1731 0.0000 14 4 0 98.9376 1.6297 -97.0842 0.0000 1 5 0 138.3144 2.8161 -219.2734 0.0000 3 5 0 352.7838 2.0083 353.2556 0.0000 5 5 0 16.6256 1.1663 -20.2956 0.0000 7 5 0 232.7173 4.1003 -249.4872 0.0000 9 5 0 131.5937 3.2988 133.0435 0.0000 11 5 0 80.2188 1.1377 96.1878 0.0000 13 5 0 137.2700 7.2095 -124.3981 0.0000 0 6 0 213.7586 1.9937 -252.8071 0.0000 2 6 0 103.7320 1.1576 73.4745 0.0000 4 6 0 172.1277 2.6711 153.6499 0.0000 6 6 0 104.2597 0.9445 -117.3821 0.0000 8 6 0 54.9387 1.0606 -52.6996 0.0000 10 6 0 99.7564 1.9130 106.7019 0.0000 12 6 0 32.9945 1.6551 -25.8100 0.0000 1 7 0 47.0868 1.0386 71.5371 0.0000 3 7 0 82.4264 1.0096 -95.2002 0.0000 5 7 0 6.9686 2.8648 -18.9264 0.0000 7 7 0 74.0014 1.5978 87.5384 0.0000 9 7 0 42.7398 1.2575 -39.9917 0.0000 11 7 0 19.7676 1.8853 -25.7744 0.0000 13 7 0 37.3629 2.1013 31.9432 0.0000 0 8 0 213.5221 11.5975 246.5976 0.0000 2 8 0 102.9650 1.7879 -76.3482 0.0000 4 8 0 187.3015 1.7483 -185.3096 0.0000 6 8 0 166.0789 2.6472 175.7513 0.0000 8 8 0 35.7825 1.4466 38.7059 0.0000 10 8 0 126.2876 1.6889 -137.4809 0.0000 12 8 0 50.0062 1.4327 39.6636 0.0000 1 9 0 180.1339 5.5911 184.3217 0.0000 3 9 0 294.9137 2.1327 -274.8707 0.0000 5 9 0 32.8699 1.1456 -16.8413 0.0000 7 9 0 229.7796 2.7368 232.0697 0.0000 9 9 0 105.5962 1.9444 -119.8873 0.0000 11 9 0 76.7544 2.1863 -79.2317 0.0000 0 10 0 220.1744 2.0560 193.9332 0.0000 2 10 0 60.2217 1.1982 -64.2700 0.0000 4 10 0 138.4476 2.6954 -130.3742 0.0000 6 10 0 120.3819 1.2466 121.8309 0.0000 8 10 0 41.0877 1.4779 36.2809 0.0000 10 10 0 107.4949 1.2606 -105.1216 0.0000 1 11 0 21.3965 4.8009 7.3263 0.0000 3 11 0 18.8543 3.2924 -6.9025 0.0000 5 11 0 7.4306 4.7096 -13.3588 0.0000 7 11 0 21.7550 2.3831 23.5971 0.0000 9 11 0 12.7526 3.6673 -12.4798 0.0000 0 12 0 122.0683 2.1910 -114.6514 0.0000 2 12 0 35.5228 2.0314 31.4383 0.0000 4 12 0 105.8190 4.9545 95.2077 0.0000 6 12 0 84.5323 1.6745 -88.3824 0.0000 8 12 0 25.0671 2.4181 -18.7024 0.0000 1 13 0 124.1216 3.1255 -112.0003 0.0000 3 13 0 178.4865 1.5054 173.6828 0.0000 5 13 0 11.9204 3.5676 -4.9400 0.0000 7 13 0 129.3310 6.0197 -129.7410 0.0000 0 14 0 132.7081 2.2256 -136.9258 0.0000 2 14 0 36.5095 3.5950 41.7435 0.0000 4 14 0 94.5306 1.5978 104.8868 0.0000 6 14 0 98.0123 4.7774 -100.2570 0.0000 1 15 0 33.3774 3.3336 -35.9782 0.0000 3 15 0 54.1707 1.8682 53.6314 0.0000 -15 1 1 77.1981 1.4724 -85.8591 0.0000 -13 1 1 69.0563 1.3516 57.8775 0.0000 -11 1 1 113.2177 1.6984 104.1813 0.0000 -9 1 1 152.9109 0.8699 -178.5762 0.0000 -7 1 1 21.8783 2.0931 -34.4343 0.0000 -5 1 1 319.7837 7.0310 309.2007 0.0000 -3 1 1 252.7159 4.3112 -184.4241 0.0000 -1 1 1 239.1903 6.3176 -242.3040 0.0000 1 1 1 371.2162 9.3721 332.7152 0.0000 5 1 1 374.4213 1.4391 -278.0363 0.0000 7 1 1 114.2963 4.2263 129.3707 0.0000 9 1 1 112.0169 1.0881 109.1161 0.0000 11 1 1 138.1138 1.7126 -128.3275 0.0000 13 1 1 10.1554 3.4269 -3.9350 0.0000 -14 2 1 50.0404 1.6064 -58.7001 0.0000 -12 2 1 212.0566 2.0121 205.1322 0.0000 -10 2 1 72.8533 1.2939 -83.5792 0.0000 -8 2 1 225.4777 5.2757 -257.0746 0.0000 -6 2 1 350.9716 9.6826 313.5027 0.0000 -4 2 1 123.2776 3.1407 139.1636 0.0000 -2 2 1 560.8287 7.9100 -515.0758 0.0000 0 2 1 138.3568 0.9495 142.6298 0.0000 2 2 1 413.1428 2.2943 441.1092 0.0000 4 2 1 461.9291 9.1218 -378.5522 0.0000 6 2 1 127.6300 1.6642 -95.1234 0.0000 8 2 1 269.6221 10.6773 269.5902 0.0000 10 2 1 64.2180 1.2578 -55.1352 0.0000 12 2 1 138.4566 2.1961 -139.9259 0.0000 14 2 1 105.9424 3.4720 102.7219 0.0000 -15 3 1 118.1975 1.4752 -111.7587 0.0000 -13 3 1 69.2512 1.3942 73.2759 0.0000 -11 3 1 135.1849 1.6268 135.5573 0.0000 -9 3 1 236.9691 3.0350 -225.4218 0.0000 -7 3 1 70.5137 0.8064 -45.5456 0.0000 -5 3 1 376.7893 6.0448 374.0663 0.0000 -3 3 1 168.2241 1.2859 -210.0839 0.0000 -1 3 1 295.1674 7.9500 -292.5425 0.0000 1 3 1 386.2955 2.3713 410.7207 0.0000 3 3 1 58.7404 1.3723 32.2231 0.0000 5 3 1 318.1060 3.0426 -345.3928 0.0000 7 3 1 159.7921 3.0483 160.1969 0.0000 9 3 1 142.7277 4.1189 141.0373 0.0000 11 3 1 163.5301 8.6583 -162.8896 0.0000 13 3 1 9.3355 5.8975 -7.9654 0.0000 -14 4 1 22.6754 2.1503 -16.2756 0.0000 -12 4 1 55.0327 1.6851 65.3610 0.0000 -10 4 1 64.2312 1.0413 -45.1615 0.0000 -8 4 1 85.7893 0.8974 -52.3687 0.0000 -6 4 1 60.1971 0.8189 92.2454 0.0000 -4 4 1 34.1762 1.3602 14.2739 0.0000 -2 4 1 88.7112 2.1771 -125.2227 0.0000 0 4 1 30.7788 0.9407 29.9722 0.0000 2 4 1 146.7209 1.6263 119.3161 0.0000 6 4 1 30.0178 1.2997 -8.2684 0.0000 8 4 1 60.2979 1.7146 56.8104 0.0000 10 4 1 5.4242 4.5923 -6.7718 0.0000 12 4 1 31.8029 1.8988 -39.8479 0.0000 -13 5 1 33.6361 2.9333 -28.6837 0.0000 -11 5 1 55.9718 1.3221 -42.7689 0.0000 -9 5 1 76.2083 1.3944 85.2151 0.0000 -7 5 1 6.7068 2.6630 8.4107 0.0000 -5 5 1 152.3384 0.8286 -149.8748 0.0000 -3 5 1 95.2869 2.2527 102.8015 0.0000 -1 5 1 128.3345 4.8190 114.0386 0.0000 1 5 1 119.2624 2.1496 -151.0569 0.0000 3 5 1 13.2189 1.0337 -20.3777 0.0000 5 5 1 139.7199 1.5784 130.4301 0.0000 7 5 1 49.4979 1.0232 -64.8948 0.0000 9 5 1 35.7394 1.5195 -47.2246 0.0000 11 5 1 64.4851 1.4199 63.3361 0.0000 13 5 1 12.4465 3.3135 -5.6490 0.0000 -14 6 1 52.7654 1.8227 46.6335 0.0000 -12 6 1 145.8186 2.0967 -148.3577 0.0000 -10 6 1 38.0131 3.2099 32.4026 0.0000 -8 6 1 244.2085 1.5574 221.4384 0.0000 -6 6 1 198.2533 0.9919 -221.7523 0.0000 -4 6 1 164.8948 1.7426 -143.0782 0.0000 -2 6 1 354.4361 11.2111 384.6895 0.0000 0 6 1 77.6670 1.9142 -107.8409 0.0000 2 6 1 303.8605 3.3964 -303.2296 0.0000 4 6 1 212.9173 1.6767 260.5184 0.0000 6 6 1 77.6942 1.7499 96.8284 0.0000 8 6 1 230.1749 2.3404 -233.8895 0.0000 10 6 1 55.5492 1.1458 57.3455 0.0000 12 6 1 108.8877 1.9832 109.5176 0.0000 -13 7 1 56.8816 2.4463 -66.1948 0.0000 -11 7 1 101.1569 1.5554 -111.9521 0.0000 -9 7 1 206.8724 1.0898 192.6383 0.0000 -7 7 1 55.7913 1.6925 37.4663 0.0000 -5 7 1 307.8721 2.1816 -320.6991 0.0000 -3 7 1 175.9215 1.6974 188.4054 0.0000 -1 7 1 230.0478 3.6412 241.2394 0.0000 1 7 1 351.1204 5.0760 -334.0329 0.0000 3 7 1 66.9603 0.8959 -35.8781 0.0000 5 7 1 272.2622 1.4424 300.3725 0.0000 7 7 1 155.8448 1.2998 -145.5208 0.0000 9 7 1 127.0887 4.1577 -119.2649 0.0000 11 7 1 142.7232 11.1536 147.8336 0.0000 -12 8 1 80.0289 1.2608 -86.8182 0.0000 -10 8 1 36.2958 1.4321 27.8094 0.0000 -8 8 1 105.1014 1.8238 114.9348 0.0000 -6 8 1 127.8281 1.6776 -123.6400 0.0000 -4 8 1 56.2349 2.2444 -73.2844 0.0000 -2 8 1 216.2351 3.3836 209.3725 0.0000 0 8 1 78.9377 1.3008 -55.8940 0.0000 2 8 1 184.8892 1.2888 -169.2348 0.0000 4 8 1 151.8477 3.6750 151.7738 0.0000 6 8 1 44.7520 1.0201 41.3330 0.0000 8 8 1 132.0633 1.0745 -122.7391 0.0000 10 8 1 25.9135 1.6308 29.6189 0.0000 12 8 1 67.2234 1.8823 63.0777 0.0000 -11 9 1 0.0000 4.8231 6.7703 0.0000 -9 9 1 31.2408 1.5108 -21.8731 0.0000 -7 9 1 0.0000 4.3876 14.3956 0.0000 -5 9 1 9.1066 2.7831 13.6225 0.0000 -3 9 1 9.0430 2.9576 -20.7142 0.0000 -1 9 1 8.3985 2.8750 -7.5797 0.0000 1 9 1 21.4565 1.2472 21.6121 0.0000 3 9 1 13.9074 2.0494 -10.7861 0.0000 5 9 1 8.0655 5.2370 -1.3478 0.0000 7 9 1 1.6970 4.0181 0.2827 0.0000 9 9 1 9.1117 3.7433 7.7018 0.0000 11 9 1 5.7557 4.9282 -8.1271 0.0000 -12 10 1 78.0215 1.3735 87.3461 0.0000 -10 10 1 27.2048 1.7175 -20.7282 0.0000 -8 10 1 123.1766 1.2377 -120.2060 0.0000 -6 10 1 115.6310 1.9336 121.7085 0.0000 -4 10 1 54.9257 2.7013 64.7262 0.0000 -2 10 1 188.7744 2.1971 -184.6359 0.0000 0 10 1 73.2577 4.0686 51.2443 0.0000 2 10 1 170.2346 1.5714 147.7511 0.0000 4 10 1 118.3125 5.6204 -125.8213 0.0000 6 10 1 45.5658 1.3325 -57.2253 0.0000 8 10 1 136.6411 3.0093 128.5931 0.0000 10 10 1 27.8901 1.9894 -30.1738 0.0000 -11 11 1 73.2840 1.4861 77.8795 0.0000 -9 11 1 135.4791 4.3955 -142.3277 0.0000 -7 11 1 0.0000 4.6151 -11.4006 0.0000 -5 11 1 209.9462 2.2850 210.6158 0.0000 -3 11 1 151.7570 2.4296 -137.7940 0.0000 -1 11 1 136.9507 6.0841 -140.3798 0.0000 1 11 1 229.8612 1.5082 212.9339 0.0000 3 11 1 12.0450 3.4579 13.1180 0.0000 5 11 1 193.1062 1.4728 -185.3427 0.0000 7 11 1 91.1118 3.7296 88.7937 0.0000 9 11 1 87.9059 1.6487 85.7100 0.0000 -10 12 1 15.6409 4.9146 -23.6127 0.0000 -8 12 1 99.0142 6.1333 -106.8741 0.0000 -6 12 1 117.6405 1.4671 111.1700 0.0000 -4 12 1 60.5547 1.5825 56.5548 0.0000 -2 12 1 171.9662 3.3522 -166.9893 0.0000 0 12 1 38.1585 3.3243 47.0138 0.0000 2 12 1 123.6287 1.4624 135.4504 0.0000 4 12 1 132.2313 1.5027 -121.6481 0.0000 6 12 1 50.8425 4.7999 -44.5274 0.0000 8 12 1 107.7423 5.6566 115.3366 0.0000 -7 13 1 9.5146 5.0304 -8.0991 0.0000 -5 13 1 54.1376 1.6336 46.6126 0.0000 -3 13 1 24.2193 2.1005 -35.0295 0.0000 -1 13 1 20.8701 2.4925 -14.9577 0.0000 1 13 1 15.6892 2.9583 27.6641 0.0000 3 13 1 0.0000 5.4198 11.0861 0.0000 5 13 1 34.2611 2.0471 -35.5777 0.0000 7 13 1 0.0000 5.8136 13.9264 0.0000 -6 14 1 48.8016 1.8751 -45.8832 0.0000 -4 14 1 25.1057 2.6057 -27.0173 0.0000 -2 14 1 74.5314 1.6185 72.3085 0.0000 0 14 1 18.1731 2.7174 -17.5513 0.0000 2 14 1 58.9200 1.7454 -57.8960 0.0000 4 14 1 51.7510 1.8335 46.3977 0.0000 6 14 1 26.1798 2.5638 22.8588 0.0000 -3 15 1 58.4228 1.9631 61.7444 0.0000 -1 15 1 92.6023 2.3364 88.9113 0.0000 1 15 1 118.2927 1.6698 -126.7152 0.0000 3 15 1 6.9694 5.8399 -1.0338 0.0000 -14 0 2 153.6888 1.9492 151.9134 0.0000 -12 0 2 15.6945 2.7315 -20.2129 0.0000 -10 0 2 246.3060 1.2141 -278.5507 0.0000 -8 0 2 312.5027 8.5130 291.7434 0.0000 -6 0 2 185.7225 2.4868 168.6061 0.0000 -4 0 2 380.1397 6.7590 -460.6848 0.0000 0 0 2 687.4376 3.3644 633.9271 0.0000 2 0 2 392.9725 1.7315 -325.2444 0.0000 4 0 2 271.2486 1.4091 -246.4633 0.0000 6 0 2 379.7126 1.8584 373.6425 0.0000 8 0 2 96.4405 1.5045 -59.9226 0.0000 10 0 2 208.8156 1.7542 -183.0160 0.0000 12 0 2 110.4294 1.9035 118.8583 0.0000 -15 1 2 46.8040 3.4608 50.3411 0.0000 -13 1 2 95.1837 1.2434 91.9271 0.0000 -11 1 2 151.1233 3.8254 -158.6515 0.0000 -9 1 2 18.2808 1.1256 -25.7088 0.0000 -7 1 2 275.4604 4.1423 261.2603 0.0000 -5 1 2 120.8240 1.1519 -140.2159 0.0000 -3 1 2 234.5714 5.4499 -269.9972 0.0000 -1 1 2 470.0118 3.5051 432.4122 0.0000 1 1 2 48.2831 5.2403 -27.5296 0.0000 3 1 2 395.5565 1.6700 -356.8280 0.0000 5 1 2 196.5342 0.9267 188.7846 0.0000 7 1 2 137.1101 1.2352 149.4294 0.0000 9 1 2 202.2353 1.9925 -188.0406 0.0000 11 1 2 7.1442 3.9477 -3.0526 0.0000 13 1 2 104.1176 1.9735 105.6307 0.0000 -14 2 2 26.0915 3.4276 19.7077 0.0000 -12 2 2 10.8330 2.3253 4.8010 0.0000 -10 2 2 75.9408 0.9365 -57.2584 0.0000 -8 2 2 49.3226 0.8727 59.1374 0.0000 -6 2 2 18.5119 1.1072 20.3639 0.0000 -4 2 2 117.4206 1.5666 -52.4472 0.0000 -2 2 2 170.4072 4.1472 -89.7141 0.0000 0 2 2 178.0822 1.1238 150.6152 0.0000 2 2 2 35.1680 5.6228 -16.0019 0.0000 4 2 2 100.2449 1.1041 -84.0675 0.0000 6 2 2 79.8850 0.7517 74.6131 0.0000 8 2 2 21.1397 1.5771 -10.5946 0.0000 10 2 2 12.6412 2.5477 -27.2450 0.0000 12 2 2 22.5659 1.9900 17.0517 0.0000 -15 3 2 29.3548 1.9676 -31.3148 0.0000 -13 3 2 74.3100 2.2637 -71.7046 0.0000 -11 3 2 103.3823 1.4580 120.3438 0.0000 -9 3 2 12.5756 3.0431 21.0856 0.0000 -7 3 2 229.8907 1.2657 -211.6459 0.0000 -5 3 2 102.6102 1.6096 143.7930 0.0000 -1 3 2 276.1556 1.0492 -248.5089 0.0000 1 3 2 20.1839 1.5187 -27.7576 0.0000 3 3 2 235.9889 3.7794 216.9154 0.0000 5 3 2 76.8335 1.7095 -84.0327 0.0000 7 3 2 88.3114 3.2083 -111.8521 0.0000 9 3 2 146.9566 2.8049 117.7148 0.0000 11 3 2 16.5113 2.3893 2.6805 0.0000 13 3 2 56.6153 1.5938 -63.4860 0.0000 -14 4 2 139.2406 1.1941 -140.0793 0.0000 -12 4 2 32.1909 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