#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:34:15 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180790 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/21/2012187.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_2012187_Fobs loop_ _publ_author_name 'Dean, Philip A. W.' 'Dance, Ian G.' 'Craig, Donald C.' 'Scudder, Marcia L.' _publ_section_title ; Bis(tetraphenylphosphonium) tris(oxalato-O,O')germanate(IV) ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1030 _journal_page_last 1031 _journal_volume 57 _journal_year 2001 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cod_data_source_file da1190Isup2.hkl _cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma 2 0 0 129.782 134.682 1.856 4 0 0 32.890 -33.462 0.786 6 0 0 73.167 81.784 1.298 8 0 0 139.028 141.357 2.046 10 0 0 83.535 -78.865 1.309 12 0 0 59.662 64.298 1.856 14 0 0 7.077 6.699 0.583 16 0 0 25.034 24.073 2.341 18 0 0 89.150 90.628 1.411 20 0 0 14.474 -13.607 0.674 22 0 0 8.821 8.537 0.769 24 0 0 32.967 34.253 1.052 26 0 0 25.069 24.600 1.451 -26 0 2 45.100 -46.900 1.024 -24 0 2 7.579 9.462 1.041 -22 0 2 20.553 -19.603 0.744 -20 0 2 14.023 -13.548 0.813 -18 0 2 67.517 -71.923 1.513 -16 0 2 32.103 31.627 0.791 -14 0 2 75.910 -79.137 1.691 -12 0 2 3.686 -6.248 3.126 -10 0 2 47.903 46.426 1.072 -8 0 2 103.844 -113.671 2.196 -6 0 2 147.352 -152.307 3.011 -4 0 2 74.382 75.561 1.575 -2 0 2 274.717 -273.709 5.752 0 0 2 408.704 -414.863 8.391 2 0 2 34.065 34.407 0.773 4 0 2 255.804 -260.059 5.543 6 0 2 286.963 -292.564 5.784 8 0 2 119.212 -121.354 2.513 10 0 2 143.279 -150.611 3.005 12 0 2 206.324 -206.010 4.253 14 0 2 4.486 -7.576 4.487 16 0 2 51.197 -51.718 1.139 18 0 2 32.460 -33.174 0.838 20 0 2 42.023 44.823 1.014 22 0 2 7.729 -6.904 0.972 24 0 2 54.592 -55.489 1.228 26 0 2 17.529 -18.122 0.612 -26 0 4 12.686 10.898 0.830 -24 0 4 17.890 -15.998 0.882 -22 0 4 69.466 71.343 1.553 -20 0 4 111.753 112.294 2.506 -18 0 4 4.197 7.993 6.469 -16 0 4 2.263 -1.937 3.542 -14 0 4 99.964 99.882 2.227 -12 0 4 27.932 -30.114 0.718 -10 0 4 31.762 -29.372 0.744 -8 0 4 43.930 -35.183 0.980 -6 0 4 14.198 12.653 0.481 -4 0 4 76.609 75.941 1.671 -2 0 4 175.054 179.665 3.580 0 0 4 125.093 -119.656 2.611 2 0 4 286.521 290.246 5.789 4 0 4 77.790 81.248 1.726 6 0 4 115.212 122.156 2.496 8 0 4 157.294 159.788 3.324 10 0 4 255.069 254.010 5.243 12 0 4 88.462 88.565 1.974 14 0 4 0.000 2.824 13.918 16 0 4 79.144 78.277 1.758 18 0 4 58.032 56.899 1.334 20 0 4 4.719 6.688 2.165 22 0 4 24.630 26.161 0.855 24 0 4 25.512 23.720 0.791 -26 0 6 17.596 -17.568 0.801 -24 0 6 13.275 -14.134 0.976 -22 0 6 59.418 -59.946 1.349 -20 0 6 117.245 -118.966 2.610 -18 0 6 38.012 38.603 0.977 -16 0 6 97.244 -100.606 2.162 -14 0 6 23.394 -22.372 0.719 -12 0 6 31.489 26.453 0.791 -10 0 6 58.476 -59.897 1.307 -8 0 6 119.193 -112.836 2.596 -6 0 6 4.664 -6.807 3.299 -4 0 6 45.803 -47.903 1.029 -2 0 6 238.852 227.093 4.871 0 0 6 112.607 107.483 2.443 2 0 6 203.540 -200.896 4.190 4 0 6 232.500 -230.667 4.770 6 0 6 71.165 -73.598 1.585 8 0 6 139.561 -142.544 3.059 10 0 6 129.401 -130.679 2.840 12 0 6 46.394 -49.709 1.091 14 0 6 32.761 -33.016 0.919 16 0 6 18.117 -16.823 0.881 18 0 6 40.849 -42.572 1.062 20 0 6 41.470 -41.012 1.039 22 0 6 47.615 -49.158 1.113 -26 0 8 5.000 3.287 1.279 -24 0 8 6.774 7.292 1.205 -22 0 8 69.415 70.235 1.547 -20 0 8 42.629 41.638 1.081 -18 0 8 20.161 -21.093 0.822 -16 0 8 108.801 113.479 2.428 -14 0 8 73.086 71.534 1.630 -12 0 8 65.812 66.619 1.478 -10 0 8 80.692 81.388 1.810 -8 0 8 100.119 96.049 2.247 -6 0 8 25.098 -20.054 0.676 -4 0 8 42.672 44.918 0.964 -2 0 8 69.630 -65.821 1.562 0 0 8 0.821 -7.312 6.602 2 0 8 86.146 93.039 1.956 4 0 8 69.239 73.470 1.569 6 0 8 37.769 36.777 0.910 8 0 8 75.948 75.691 1.681 10 0 8 74.556 74.917 1.653 12 0 8 14.187 13.375 0.941 14 0 8 47.606 47.396 1.163 16 0 8 56.647 56.067 1.305 18 0 8 40.782 42.364 1.047 20 0 8 27.658 28.058 0.844 -26 0 10 4.780 -2.208 1.506 -24 0 10 5.126 -4.534 1.660 -22 0 10 25.305 -24.304 0.877 -20 0 10 12.333 14.693 1.005 -18 0 10 46.541 -44.509 1.144 -16 0 10 72.248 -72.899 1.620 -14 0 10 50.320 -50.878 1.175 -12 0 10 112.898 -111.969 2.494 -10 0 10 144.442 -144.680 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35.506 0.974 -20 2 6 0.000 3.880 13.855 -18 2 6 9.727 9.904 1.089 -16 2 6 66.916 67.043 1.495 -14 2 6 18.977 19.269 0.700 -12 2 6 52.702 -50.123 1.178 -10 2 6 118.979 117.126 2.644 -8 2 6 150.881 145.262 3.203 -6 2 6 14.996 -15.756 0.563 -4 2 6 34.659 33.859 0.786 -2 2 6 122.638 125.489 2.631 0 2 6 119.512 -114.765 2.579 2 2 6 53.253 52.425 1.196 4 2 6 157.763 156.108 3.333 6 2 6 98.375 99.634 2.213 8 2 6 41.783 -39.154 0.966 10 2 6 95.983 96.359 2.162 12 2 6 38.436 37.414 0.970 14 2 6 7.982 -5.719 1.298 16 2 6 28.327 30.742 0.920 18 2 6 19.790 19.381 0.893 20 2 6 26.118 24.718 0.871 22 2 6 27.848 29.880 0.832 -26 2 7 0.000 -3.574 13.749 -24 2 7 2.745 4.538 7.643 -22 2 7 48.970 48.979 1.177 -20 2 7 22.202 20.693 0.878 -18 2 7 35.375 35.207 0.951 -16 2 7 37.769 38.625 0.949 -14 2 7 75.911 74.554 1.688 -12 2 7 77.600 76.356 1.728 -10 2 7 50.371 50.509 1.140 -8 2 7 33.843 35.298 0.808 -6 2 7 90.553 89.162 2.041 -4 2 7 132.957 128.719 2.860 -2 2 7 46.977 -43.202 1.049 0 2 7 46.713 47.783 1.051 2 2 7 93.921 93.575 2.110 4 2 7 64.361 65.167 1.427 6 2 7 80.818 82.764 1.814 8 2 7 77.240 74.119 1.718 10 2 7 41.476 43.030 1.010 12 2 7 38.702 36.865 0.999 14 2 7 4.488 -1.773 6.917 16 2 7 21.129 20.729 0.879 18 2 7 0.000 4.722 14.288 20 2 7 11.878 11.324 0.944 22 2 7 17.288 13.196 0.705 -26 2 8 6.160 -5.744 1.085 -24 2 8 15.639 -18.110 0.846 -22 2 8 42.813 -42.157 1.072 -20 2 8 17.203 -15.363 0.873 -18 2 8 16.921 19.507 0.895 -16 2 8 86.070 -88.486 1.946 -14 2 8 5.681 -1.143 3.333 -12 2 8 17.288 -16.683 0.710 -10 2 8 58.574 -62.109 1.318 -8 2 8 48.192 -45.306 1.076 -6 2 8 23.412 22.433 0.683 -4 2 8 102.112 -101.134 2.271 -2 2 8 40.082 -41.824 0.910 0 2 8 51.230 49.284 1.138 2 2 8 87.170 -87.775 1.939 4 2 8 26.619 -27.434 0.736 6 2 8 32.312 -32.593 0.837 8 2 8 49.722 -50.432 1.139 10 2 8 62.513 -60.940 1.417 12 2 8 20.263 20.594 0.834 14 2 8 37.538 -37.649 1.023 16 2 8 50.882 -50.750 1.225 18 2 8 11.356 -11.929 1.127 20 2 8 19.945 -19.000 0.760 -26 2 9 5.019 4.847 1.358 -24 2 9 5.549 -3.863 1.525 -22 2 9 22.692 -23.988 0.872 -20 2 9 9.914 -10.218 1.035 -18 2 9 36.205 -37.527 0.995 -16 2 9 54.409 -55.972 1.247 -14 2 9 41.798 -41.673 1.025 -12 2 9 67.363 -66.155 1.507 -10 2 9 76.366 -72.409 1.689 -8 2 9 16.912 -17.381 0.668 -6 2 9 101.176 -96.070 2.252 -4 2 9 7.735 5.926 0.882 -2 2 9 17.179 13.568 0.657 0 2 9 52.263 -53.209 1.178 2 2 9 68.712 -68.293 1.541 4 2 9 76.951 -76.424 1.703 6 2 9 39.425 -36.792 0.972 8 2 9 48.812 -48.096 1.140 10 2 9 67.495 -68.402 1.508 12 2 9 60.815 -59.643 1.378 14 2 9 0.000 -5.006 14.333 16 2 9 9.374 -7.131 1.176 18 2 9 0.000 -3.084 14.478 20 2 9 17.561 -16.485 0.686 -26 2 10 4.552 -5.527 3.315 -24 2 10 13.105 14.354 0.790 -22 2 10 24.241 23.505 0.838 -20 2 10 10.027 9.454 1.150 -18 2 10 5.505 -7.176 1.920 -16 2 10 88.640 89.443 1.989 -14 2 10 0.000 -2.583 14.205 -12 2 10 56.206 55.948 1.271 -10 2 10 52.863 52.501 1.192 -8 2 10 11.810 9.496 0.849 -6 2 10 35.653 -33.224 0.887 -4 2 10 75.096 72.340 1.677 -2 2 10 21.400 20.915 0.730 0 2 10 37.843 37.197 0.923 2 2 10 84.548 85.696 1.881 4 2 10 11.298 -9.201 0.888 6 2 10 21.368 21.233 0.829 8 2 10 50.358 52.093 1.188 10 2 10 17.703 -15.574 0.951 12 2 10 16.007 -16.577 0.934 14 2 10 68.748 66.832 1.529 16 2 10 8.777 12.117 1.356 18 2 10 4.637 3.977 1.690 -24 2 11 20.572 21.394 0.762 -22 2 11 11.081 11.759 0.921 -20 2 11 0.000 1.507 14.061 -18 2 11 35.536 35.261 0.997 -16 2 11 42.287 39.974 1.088 -14 2 11 0.000 8.563 14.222 -12 2 11 30.037 28.010 0.879 -10 2 11 43.246 41.009 1.054 -8 2 11 28.867 27.781 0.846 -6 2 11 70.363 68.238 1.560 -4 2 11 64.155 65.448 1.433 -2 2 11 90.016 89.609 2.010 0 2 11 28.997 29.514 0.839 2 2 11 52.031 54.638 1.191 4 2 11 33.569 33.531 0.928 6 2 11 0.000 1.243 14.348 8 2 11 21.400 21.338 0.962 10 2 11 36.501 35.031 1.003 12 2 11 22.863 22.860 0.864 14 2 11 36.189 36.321 0.989 16 2 11 18.265 18.419 0.821 -24 2 12 17.476 -17.325 0.748 -22 2 12 23.921 -23.546 0.797 -20 2 12 0.000 -0.992 14.122 -18 2 12 15.505 -14.936 0.901 -16 2 12 31.144 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20.359 -20.598 0.790 14 2 13 30.272 -32.189 0.853 -22 2 14 6.760 -6.617 1.066 -20 2 14 0.000 3.447 14.168 -18 2 14 43.467 41.363 1.073 -16 2 14 15.387 13.633 0.982 -14 2 14 18.642 18.669 0.871 -12 2 14 40.117 39.592 1.062 -10 2 14 3.230 1.651 8.991 -8 2 14 0.000 4.784 14.349 -6 2 14 49.427 49.373 1.196 -4 2 14 30.689 29.302 0.937 -2 2 14 9.141 8.714 1.356 0 2 14 62.689 62.255 1.415 2 2 14 11.707 11.852 0.979 4 2 14 5.490 -0.322 5.257 6 2 14 42.858 40.560 1.092 8 2 14 17.606 17.272 0.924 10 2 14 10.391 -8.373 1.001 12 2 14 20.202 19.668 0.767 -20 2 15 19.061 19.709 0.763 -18 2 15 23.392 23.393 0.847 -16 2 15 11.616 11.927 0.912 -14 2 15 21.495 22.343 0.905 -12 2 15 35.904 35.741 1.018 -10 2 15 20.374 21.916 0.881 -8 2 15 24.047 26.314 0.918 -6 2 15 32.738 32.370 0.958 -4 2 15 11.161 11.370 1.208 -2 2 15 8.371 5.771 1.360 0 2 15 40.787 42.040 1.070 2 2 15 22.880 24.855 0.862 4 2 15 17.261 18.771 0.921 6 2 15 34.531 32.760 0.956 8 2 15 24.135 24.282 0.829 10 2 15 4.612 0.672 3.052 -20 2 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7 13.779 -10.211 0.933 15 3 7 8.427 11.685 4.467 17 3 7 35.998 -35.998 0.997 19 3 7 12.042 -12.939 1.020 21 3 7 0.000 7.120 14.189 -25 3 8 45.318 -45.908 1.065 -23 3 8 25.528 -26.969 0.849 -21 3 8 3.030 -0.898 7.574 -19 3 8 22.283 -21.866 0.839 -17 3 8 32.542 -30.606 0.907 -15 3 8 15.099 -15.780 0.822 -13 3 8 101.361 -98.184 2.268 -11 3 8 81.119 -77.008 1.805 -9 3 8 103.574 -99.982 2.302 -7 3 8 98.490 -97.656 2.188 -5 3 8 0.000 -7.052 14.020 -3 3 8 0.000 -2.933 13.939 -1 3 8 178.205 -174.556 3.751 1 3 8 93.572 -91.063 2.091 3 3 8 42.368 -42.210 0.965 5 3 8 117.200 -119.053 2.613 7 3 8 66.680 -67.763 1.506 9 3 8 20.274 20.025 0.816 11 3 8 6.920 5.567 1.359 13 3 8 23.360 -25.299 0.934 15 3 8 28.506 -26.060 0.893 17 3 8 37.838 -38.283 1.012 19 3 8 34.095 -33.345 0.918 21 3 8 5.800 -6.035 1.179 -25 3 9 24.443 25.047 0.766 -23 3 9 7.361 -7.799 1.156 -21 3 9 12.225 12.583 1.025 -19 3 9 9.866 8.142 1.102 -17 3 9 19.069 14.001 0.831 -15 3 9 18.775 -19.752 0.844 -13 3 9 27.920 27.793 0.839 -11 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1.001 -14 4 1 94.867 93.526 2.140 -12 4 1 93.853 93.891 2.081 -10 4 1 22.298 26.565 0.588 -8 4 1 69.308 69.615 1.567 -6 4 1 118.286 120.316 2.488 -4 4 1 95.036 97.182 2.027 -2 4 1 83.567 87.616 1.799 0 4 1 55.685 59.187 1.254 2 4 1 106.748 101.580 2.242 4 4 1 108.679 111.534 2.294 6 4 1 123.414 122.396 2.596 8 4 1 19.473 -17.985 0.536 10 4 1 81.733 79.915 1.848 12 4 1 106.596 105.597 2.338 14 4 1 78.124 78.149 1.733 16 4 1 22.734 21.816 0.726 18 4 1 76.352 74.760 1.694 20 4 1 30.420 30.921 0.839 22 4 1 8.820 -9.364 0.954 24 4 1 39.911 40.284 0.939 -26 4 2 16.145 -16.558 0.594 -24 4 2 0.000 -0.412 11.450 -22 4 2 15.880 15.469 0.699 -20 4 2 8.399 -8.200 0.974 -18 4 2 13.401 13.411 0.725 -16 4 2 31.808 32.165 0.803 -14 4 2 11.322 -8.545 0.620 -12 4 2 39.444 38.091 0.887 -10 4 2 80.283 79.327 1.801 -8 4 2 42.324 -40.119 0.944 -6 4 2 17.357 14.936 0.468 -4 4 2 7.229 10.145 0.523 -2 4 2 130.571 126.310 2.702 0 4 2 5.232 -2.490 0.592 2 4 2 26.755 29.847 0.604 4 4 2 9.001 7.365 0.443 6 4 2 54.907 -51.722 1.229 8 4 2 45.188 45.511 1.013 10 4 2 37.150 36.493 0.838 12 4 2 30.025 28.614 0.746 14 4 2 21.668 21.246 0.676 16 4 2 43.540 42.646 1.014 18 4 2 23.615 -26.421 0.799 20 4 2 22.067 21.563 0.766 22 4 2 0.000 3.005 11.869 24 4 2 4.316 2.954 1.202 -26 4 3 28.898 -29.709 0.735 -24 4 3 21.271 -21.188 0.703 -22 4 3 3.531 -8.375 5.856 -20 4 3 23.491 -22.367 0.759 -18 4 3 11.460 -12.570 0.845 -16 4 3 56.906 -57.291 1.262 -14 4 3 57.039 -58.874 1.280 -12 4 3 70.005 -69.261 1.559 -10 4 3 32.410 -35.425 0.743 -8 4 3 229.723 -220.288 4.679 -6 4 3 86.263 -88.357 1.905 -4 4 3 79.569 -79.695 1.763 -2 4 3 114.587 -117.102 2.405 0 4 3 27.601 25.273 0.623 2 4 3 18.392 -16.817 0.479 4 4 3 32.440 26.509 0.716 6 4 3 95.954 -96.311 2.115 8 4 3 46.258 -44.333 1.033 10 4 3 103.969 -102.900 2.278 12 4 3 92.657 -91.667 2.066 14 4 3 42.865 -40.128 0.986 16 4 3 55.960 -55.683 1.239 18 4 3 63.033 -62.089 1.395 20 4 3 14.951 -13.150 0.708 22 4 3 9.213 -7.731 0.789 24 4 3 27.887 -28.074 0.724 -26 4 4 19.434 19.095 0.732 -24 4 4 5.282 0.994 3.495 -22 4 4 2.946 6.375 8.962 -20 4 4 2.912 0.816 3.202 -18 4 4 42.656 -43.027 1.040 -16 4 4 28.168 -27.241 0.848 -14 4 4 38.310 39.624 0.935 -12 4 4 10.215 -9.688 0.796 -10 4 4 144.037 -142.778 3.104 -8 4 4 17.325 -14.220 0.581 -6 4 4 57.793 52.571 1.293 -4 4 4 59.717 -60.352 1.332 -2 4 4 52.352 -51.758 1.175 0 4 4 100.821 93.731 2.210 2 4 4 65.588 -64.449 1.452 4 4 4 35.246 34.043 0.797 6 4 4 84.136 -80.513 1.890 8 4 4 78.161 -74.493 1.757 10 4 4 30.989 30.720 0.817 12 4 4 13.025 11.381 0.852 14 4 4 71.883 -69.666 1.605 16 4 4 0.000 2.633 14.135 18 4 4 20.404 19.997 0.921 20 4 4 38.027 -38.405 1.002 22 4 4 0.000 -3.727 14.003 24 4 4 0.000 -0.923 13.945 -26 4 5 26.925 25.741 0.774 -24 4 5 2.636 4.846 6.591 -22 4 5 23.061 23.724 0.884 -20 4 5 34.834 35.224 0.952 -18 4 5 19.086 18.826 0.832 -16 4 5 55.059 55.412 1.240 -14 4 5 62.845 65.165 1.401 -12 4 5 4.400 4.141 4.213 -10 4 5 44.234 40.821 0.997 -8 4 5 194.595 185.151 4.049 -6 4 5 73.938 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