# This is a powder pattern of the manuscript ????? # submitted in Acta Cryst. E ( ??? 2002) # #by S.N. Ivashevskaja et al. # entitled # "Dichloro(quinoline N-oxide)copper(II) from powder study" # # 11. POWDER PROFILE # Each Rietveld submission must be accompanied by a listing of the powder # profile. These should be sent as separate files, each consisting of # one data block containing a single powder profile. The _pd_block_id # is used to associate each refinement with its corresponding powder profile # since it must match the field _pd_block_diffractogram_id in section 8. # The listing of the profile will be submitted to the International Centre # for Diffraction Data for inclusion in the Powder Data File. The listing will # not be included in the printed paper, but a figure showing the measured # and calculated profiles should be submitted. data_I _pd_block_id hcc2_DRON-4 loop_ _pd_proc_point_id _pd_proc_2theta_corrected _pd_proc_intensity_net _pd_calc_intensity_net _pd_proc_ls_weight # x 100 (N.B! weights are multiplied!) 1 10.00 1012 904 .0988 2 10.10 984 897 .1016 3 10.20 956 890 .1046 4 10.30 958 883 .1044 5 10.40 882 876 .1134 6 10.50 934 869 .1071 7 10.60 910 862 .1099 8 10.70 894 855 .1119 9 10.80 882 847 .1134 10 10.90 916 1117 .1092 11 11.00 870 1160 .1149 12 11.10 1040 1217 .0962 13 11.20 1168 1296 .0856 14 11.30 1302 1411 .0768 15 11.40 1740 1599 .0575 16 11.50 2158 1970 .0463 17 11.60 3138 2785 .0319 18 11.70 4464 4518 .0224 19 11.80 7152 7677 .0140 20 11.90 11930 12264 .0084 21 12.00 17988 17059 .0056 22 12.10 17982 19294 .0056 23 12.20 11416 11215 .0088 24 12.30 2766 2835 .0362 25 12.40 1000 1013 .1000 26 12.50 822 832 .1217 27 12.60 770 784 .1299 28 12.70 748 755 .1337 29 12.80 738 734 .1355 30 12.90 696 718 .1437 31 13.00 708 704 .1412 32 13.10 776 693 .1289 33 13.20 734 682 .1362 34 13.30 690 672 .1449 35 13.40 748 651 .1337 36 13.50 730 644 .1370 37 13.60 604 637 .1656 38 13.70 744 630 .1344 39 13.80 628 654 .1592 40 13.90 788 653 .1269 41 14.00 672 654 .1488 42 14.10 682 658 .1466 43 14.20 694 666 .1441 44 14.30 710 687 .1408 45 14.40 822 741 .1217 46 14.50 968 891 .1033 47 14.60 1310 1251 .0763 48 14.70 1818 1930 .0550 49 14.80 2916 2859 .0343 50 14.90 3756 3639 .0266 51 15.00 3044 3427 .0329 52 15.10 1592 1665 .0628 53 15.20 672 733 .1488 54 15.30 546 564 .1832 55 15.40 522 537 .1916 56 15.50 574 523 .1742 57 15.60 524 512 .1908 58 15.70 458 504 .2183 59 15.80 488 496 .2049 60 15.90 542 488 .1845 61 16.00 450 481 .2222 62 16.10 496 475 .2016 63 16.20 492 465 .2033 64 16.30 466 460 .2146 65 16.40 434 454 .2304 66 16.50 400 449 .2500 67 16.60 474 443 .2110 68 16.70 466 438 .2146 69 16.80 408 433 .2451 70 16.90 416 427 .2404 71 17.00 368 422 .2717 72 17.10 418 417 .2392 73 17.20 344 413 .2907 74 17.30 408 408 .2451 75 17.40 416 404 .2404 76 17.50 380 400 .2632 77 17.60 382 398 .2618 78 17.70 368 395 .2717 79 17.80 354 391 .2825 80 17.90 376 383 .2660 81 18.00 358 379 .2793 82 18.10 380 375 .2632 83 18.20 338 372 .2959 84 18.30 336 369 .2976 85 18.40 340 366 .2941 86 18.50 392 369 .2551 87 18.60 374 375 .2674 88 18.70 358 394 .2793 89 18.80 482 448 .2075 90 18.90 542 567 .1845 91 19.00 722 713 .1385 92 19.10 776 809 .1289 93 19.20 822 731 .1217 94 19.30 854 650 .1171 95 19.40 1090 823 .0917 96 19.50 1258 1180 .0795 97 19.60 1434 1531 .0697 98 19.70 1688 1686 .0592 99 19.80 1980 1943 .0505 100 19.90 2972 2852 .0336 101 20.00 3866 3742 .0259 102 20.10 3244 3364 .0308 103 20.20 1848 1709 .0541 104 20.30 1074 1140 .0931 105 20.40 1702 1480 .0588 106 20.50 2140 1895 .0467 107 20.60 1816 1739 .0551 108 20.70 1030 910 .0971 109 20.80 476 483 .2101 110 20.90 490 428 .2041 111 21.00 498 452 .2008 112 21.10 432 429 .2315 113 21.20 380 360 .2632 114 21.30 306 333 .3268 115 21.40 274 335 .3650 116 21.50 324 348 .3086 117 21.60 382 387 .2618 118 21.70 576 522 .1736 119 21.80 872 937 .1147 120 21.90 1730 1848 .0578 121 22.00 3260 3143 .0307 122 22.10 4140 4057 .0242 123 22.20 3426 3203 .0292 124 22.30 1180 1302 .0847 125 22.40 396 500 .2525 126 22.50 326 352 .3067 127 22.60 314 323 .3185 128 22.70 298 312 .3356 129 22.80 304 309 .3289 130 22.90 368 335 .2717 131 23.00 382 390 .2618 132 23.10 562 546 .1779 133 23.20 808 846 .1238 134 23.30 1052 1185 .0951 135 23.40 1242 1308 .0805 136 23.50 960 955 .1042 137 23.60 760 806 .1316 138 23.70 1276 1287 .0784 139 23.80 2234 2203 .0448 140 23.90 2956 2982 .0338 141 24.00 2606 2659 .0384 142 24.10 1370 1415 .0730 143 24.20 1178 1083 .0849 144 24.30 1688 1640 .0592 145 24.40 2754 2506 .0363 146 24.50 3146 3066 .0318 147 24.60 2782 2681 .0359 148 24.70 2152 2082 .0465 149 24.80 1852 1818 .0540 150 24.90 1272 1105 .0786 151 25.00 554 535 .1805 152 25.10 436 368 .2294 153 25.20 354 343 .2825 154 25.30 324 344 .3086 155 25.40 416 377 .2404 156 25.50 554 511 .1805 157 25.60 982 911 .1018 158 25.70 1806 1703 .0554 159 25.80 2570 2635 .0389 160 25.90 2662 2843 .0376 161 26.00 1900 1671 .0526 162 26.10 908 704 .1101 163 26.20 600 447 .1667 164 26.30 478 443 .2092 165 26.40 582 583 .1718 166 26.50 1060 1100 .0943 167 26.60 2234 2369 .0448 168 26.70 4598 4303 .0217 169 26.80 5828 5694 .0172 170 26.90 4740 4424 .0211 171 27.00 1536 1781 .0651 172 27.10 470 649 .2128 173 27.20 356 421 .2809 174 27.30 326 370 .3067 175 27.40 312 347 .3205 176 27.50 352 334 .2841 177 27.60 304 326 .3289 178 27.70 324 320 .3086 179 27.80 332 317 .3012 180 27.90 304 304 .3289 181 28.00 296 301 .3378 182 28.10 314 303 .3185 183 28.20 296 305 .3378 184 28.30 292 326 .3425 185 28.40 346 343 .2890 186 28.50 360 355 .2778 187 28.60 402 377 .2488 188 28.70 440 440 .2273 189 28.80 586 582 .1706 190 28.90 758 859 .1319 191 29.00 1242 1373 .0805 192 29.10 2064 2360 .0484 193 29.20 4070 4137 .0246 194 29.30 6070 6222 .0165 195 29.40 6568 6505 .0152 196 29.50 4446 4174 .0225 197 29.60 3392 3094 .0295 198 29.70 3526 3399 .0284 199 29.80 3260 3030 .0307 200 29.90 2016 1975 .0496 201 30.00 1106 1079 .0904 202 30.10 806 720 .1241 203 30.20 742 612 .1348 204 30.30 624 504 .1603 205 30.40 448 412 .2232 206 30.50 354 357 .2825 207 30.60 366 347 .2732 208 30.70 312 342 .3205 209 30.80 334 359 .2994 210 30.90 328 360 .3049 211 31.00 330 367 .3030 212 31.10 348 383 .2874 213 31.20 356 406 .2809 214 31.30 424 459 .2358 215 31.40 588 648 .1701 216 31.50 1100 1275 .0909 217 31.60 2450 2690 .0408 218 31.70 4822 4586 .0207 219 31.80 5560 5517 .0180 220 31.90 4156 3953 .0241 221 32.00 2152 2431 .0465 222 32.10 1898 2120 .0527 223 32.20 1902 1702 .0526 224 32.30 1418 1204 .0705 225 32.40 1588 1286 .0630 226 32.50 1874 1681 .0534 227 32.60 2206 1893 .0453 228 32.70 2310 2063 .0433 229 32.80 3094 2878 .0323 230 32.90 4614 4708 .0217 231 33.00 5652 6234 .0177 232 33.10 4760 4917 .0210 233 33.20 2184 2148 .0458 234 33.30 850 871 .1176 235 33.40 636 641 .1572 236 33.50 860 753 .1163 237 33.60 1134 1005 .0882 238 33.70 1326 1177 .0754 239 33.80 1136 953 .0880 240 33.90 676 584 .1479 241 34.00 384 420 .2604 242 34.10 304 364 .3289 243 34.20 310 346 .3226 244 34.30 332 341 .3012 245 34.40 338 338 .2959 246 34.50 292 336 .3425 247 34.60 308 301 .3247 248 34.70 328 303 .3049 249 34.80 292 301 .3425 250 34.90 322 301 .3106 251 35.00 304 304 .3289 252 35.10 344 315 .2907 253 35.20 376 354 .2660 254 35.30 510 500 .1961 255 35.40 902 875 .1109 256 35.50 1446 1478 .0692 257 35.60 1858 1939 .0538 258 35.70 1560 1620 .0641 259 35.80 808 887 .1238 260 35.90 422 477 .2370 261 36.00 382 374 .2618 262 36.10 416 387 .2404 263 36.20 412 434 .2427 264 36.30 384 454 .2604 265 36.40 368 406 .2717 266 36.50 474 399 .2110 267 36.60 584 535 .1712 268 36.70 896 801 .1116 269 36.80 1156 1019 .0865 270 36.90 996 893 .1004 271 37.00 688 550 .1453 272 37.10 414 365 .2415 273 37.20 362 325 .2762 274 37.30 322 348 .3106 275 37.40 438 466 .2283 276 37.50 674 800 .1484 277 37.60 1460 1413 .0685 278 37.70 2234 2022 .0448 279 37.80 2086 1987 .0479 280 37.90 1218 1202 .0821 281 38.00 570 640 .1754 282 38.10 532 566 .1880 283 38.20 748 724 .1337 284 38.30 824 885 .1214 285 38.40 726 838 .1377 286 38.50 640 704 .1563 287 38.60 722 706 .1385 288 38.70 788 889 .1269 289 38.80 878 1048 .1139 290 38.90 684 857 .1462 291 39.00 520 550 .1923 292 39.10 528 452 .1894 293 39.20 536 520 .1866 294 39.30 574 624 .1742 295 39.40 538 651 .1859 296 39.50 470 574 .2128 297 39.60 474 477 .2110 298 39.70 484 484 .2066 299 39.80 564 588 .1773 300 39.90 618 665 .1618 301 40.00 554 577 .1805 302 40.10 484 416 .2066 303 40.20 380 328 .2632 304 40.30 326 311 .3067 305 40.40 360 330 .2778 306 40.50 360 379 .2778 307 40.60 452 445 .2212 308 40.70 490 490 .2041 309 40.80 606 526 .1650 310 40.90 600 642 .1667 311 41.00 862 852 .1160 312 41.10 994 969 .1006 313 41.20 672 765 .1488 314 41.30 444 498 .2252 315 41.40 390 393 .2564 316 41.50 486 415 .2058 317 41.60 602 547 .1661 318 41.70 800 762 .1250 319 41.80 894 935 .1119 320 41.90 852 856 .1174 321 42.00 706 695 .1416 322 42.10 896 743 .1116 323 42.20 1070 949 .0935 324 42.30 1224 1139 .0817 325 42.40 1474 1364 .0678 326 42.50 1970 1931 .0508 327 42.60 2654 2597 .0377 328 42.70 2658 2548 .0376 329 42.80 1740 1895 .0575 330 42.90 1434 1320 .0697 331 43.00 920 849 .1087 332 43.10 574 553 .1742 333 43.20 464 452 .2155 334 43.30 496 473 .2016 335 43.40 610 590 .1639 336 43.50 854 778 .1171 337 43.60 934 906 .1071 338 43.70 760 781 .1316 339 43.80 658 569 .1520 340 43.90 608 551 .1645 341 44.00 996 762 .1004 342 44.10 1168 1140 .0856 343 44.20 1348 1455 .0742 344 44.30 1304 1361 .0767 345 44.40 1050 1092 .0952 346 44.50 1014 1007 .0986 347 44.60 950 1082 .1053 348 44.70 922 1066 .1085 349 44.80 682 802 .1466 350 44.90 520 564 .1923 351 45.00 468 512 .2137 352 45.10 566 576 .1767 353 45.20 700 651 .1429 354 45.30 732 670 .1366 355 45.40 716 601 .1397 356 45.50 552 482 .1812 357 45.60 516 413 .1938 358 45.70 492 416 .2033 359 45.80 554 452 .1805 360 45.90 612 487 .1634 361 46.00 560 514 .1786 362 46.10 606 597 .1650 363 46.20 658 747 .1520 364 46.30 710 863 .1408 365 46.40 736 821 .1359 366 46.50 782 780 .1279 367 46.60 960 878 .1042 368 46.70 1060 1021 .0943 369 46.80 1102 1072 .0907 370 46.90 1096 1177 .0912 371 47.00 1360 1395 .0735 372 47.10 1480 1431 .0676 373 47.20 1064 1166 .0940 374 47.30 766 787 .1305 375 47.40 534 535 .1873 376 47.50 430 449 .2326 377 47.60 432 470 .2315 378 47.70 522 549 .1916 379 47.80 706 629 .1416 380 47.90 664 623 .1506 381 48.00 536 576 .1866 382 48.10 566 629 .1767 383 48.20 756 801 .1323 384 48.30 1000 955 .1000 385 48.40 868 879 .1152 386 48.50 636 654 .1572 387 48.60 426 492 .2347 388 48.70 414 430 .2415 389 48.80 372 423 .2688 390 48.90 428 429 .2336 391 49.00 418 410 .2392 392 49.10 376 386 .2660 393 49.20 448 387 .2232 394 49.30 540 437 .1852 395 49.40 658 597 .1520 396 49.50 950 943 .1053 397 49.60 1354 1450 .0739 398 49.70 1708 1862 .0585 399 49.80 1560 1717 .0641 400 49.90 1254 1236 .0797 401 50.00 974 912 .1027 402 50.10 870 798 .1149 403 50.20 680 740 .1471 404 50.30 658 740 .1520 405 50.40 692 822 .1445 406 50.50 888 949 .1126 407 50.60 1200 1144 .0833 408 50.70 1474 1393 .0678 409 50.80 1514 1551 .0661 410 50.90 1344 1404 .0744 411 51.00 1036 1045 .0965 412 51.10 786 783 .1272 413 51.20 750 715 .1333 414 51.30 812 744 .1232 415 51.40 824 840 .1214 416 51.50 974 965 .1027 417 51.60 1200 989 .0833 418 51.70 902 829 .1109 419 51.80 616 602 .1623 420 51.90 414 447 .2415 421 52.00 372 382 .2688 422 52.10 364 360 .2747 423 52.20 360 361 .2778 424 52.30 318 374 .3145 425 52.40 428 398 .2336 426 52.50 460 437 .2174 427 52.60 420 488 .2381 428 52.70 514 551 .1946 429 52.80 664 650 .1506 430 52.90 772 756 .1295 431 53.00 768 759 .1302 432 53.10 656 660 .1524 433 53.20 524 561 .1908 434 53.30 442 479 .2262 435 53.40 336 407 .2976 436 53.50 324 361 .3086 437 53.60 308 349 .3247 438 53.70 336 370 .2976 439 53.80 420 415 .2381 440 53.90 448 465 .2232 441 54.00 468 485 .2137 442 54.10 470 451 .2128 443 54.20 448 423 .2232 444 54.30 454 454 .2203 445 54.40 556 550 .1799 446 54.50 804 667 .1244 447 54.60 858 738 .1166 448 54.70 760 702 .1316 449 54.80 668 592 .1497 450 54.90 530 528 .1887 451 55.00 556 589 .1799 452 55.10 668 761 .1497 453 55.20 968 962 .1033 454 55.30 1108 1051 .0903 455 55.40 996 959 .1004 456 55.50 874 840 .1144 457 55.60 808 790 .1238 458 55.70 694 737 .1441 459 55.80 680 618 .1471 460 55.90 548 505 .1825 461 56.00 444 453 .2252 462 56.10 440 457 .2273 463 56.20 488 491 .2049 464 56.30 486 525 .2058 465 56.40 556 557 .1799 466 56.50 628 623 .1592 467 56.60 784 735 .1276 468 56.70 870 861 .1149 469 56.80 1026 994 .0975 470 56.90 1188 1136 .0842 471 57.00 1268 1203 .0789 472 57.10 1262 1203 .0792 473 57.20 1186 1177 .0843 474 57.30 1048 1076 .0954 475 57.40 894 863 .1119 476 57.50 618 640 .1618 477 57.60 540 513 .1852 478 57.70 494 495 .2024 479 57.80 500 548 .2000 480 57.90 606 613 .1650 481 58.00 670 632 .1493 482 58.10 594 584 .1684 483 58.20 552 522 .1812 484 58.30 530 480 .1887 485 58.40 468 467 .2137 486 58.50 406 470 .2463 487 58.60 478 458 .2092 488 58.70 436 443 .2294 489 58.80 510 447 .1961 490 58.90 460 489 .2174 491 59.00 546 556 .1832 492 59.10 544 610 .1838 493 59.20 582 602 .1718 494 59.30 600 588 .1667 495 59.40 650 631 .1538 496 59.50 780 739 .1282 497 59.60 918 849 .1089 498 59.70 890 869 .1124 499 59.80 826 831 .1211 500 59.90 700 761 .1429 501 60.00 648 655 .1543 502 60.10 568 550 .1761 503 60.20 476 486 .2101 504 60.30 510 467 .1961 505 60.40 516 467 .1938 506 60.50 502 463 .1992 507 60.60 502 454 .1992 508 60.70 462 450 .2165 509 60.80 494 458 .2024 510 60.90 462 468 .2165 511 61.00 510 466 .1961 512 61.10 486 449 .2058 513 61.20 406 419 .2463 514 61.30 378 401 .2646 515 61.40 418 422 .2392 516 61.50 482 475 .2075 517 61.60 544 543 .1838 518 61.70 668 593 .1497 519 61.80 528 597 .1894 520 61.90 570 582 .1754 521 62.00 570 576 .1754 522 62.10 498 583 .2008 523 62.20 586 620 .1706 524 62.30 666 711 .1502 525 62.40 768 853 .1302 526 62.50 946 993 .1057 527 62.60 982 1059 .1018 528 62.70 1116 1047 .0896 529 62.80 1144 990 .0874 530 62.90 1004 883 .0996 531 63.00 730 744 .1370 532 63.10 556 604 .1799 533 63.20 398 502 .2513 534 63.30 466 445 .2146 535 63.40 408 423 .2451 536 63.50 460 419 .2174 537 63.60 422 418 .2370 538 63.70 422 407 .2370 539 63.80 406 391 .2463 540 63.90 418 376 .2392 541 64.00 370 368 .2703 542 64.10 418 378 .2392 543 64.20 418 409 .2392 544 64.30 530 457 .1887 545 64.40 610 522 .1639 546 64.50 672 571 .1488 547 64.60 680 584 .1471 548 64.70 572 564 .1748 549 64.80 540 535 .1852 550 64.90 550 528 .1818 551 65.00 520 552 .1923 552 65.10 494 590 .2024 553 65.20 596 597 .1678 554 65.30 624 572 .1603 555 65.40 508 535 .1969 556 65.50 440 519 .2273 557 65.60 546 546 .1832 558 65.70 584 618 .1712 559 65.80 766 713 .1305 560 65.90 794 787 .1259 561 66.00 790 788 .1266 562 66.10 716 763 .1397 563 66.20 676 750 .1479 564 66.30 678 782 .1475 565 66.40 796 842 .1256 566 66.50 856 889 .1168 567 66.60 866 894 .1155 568 66.70 818 848 .1222 569 66.80 720 745 .1389 570 66.90 750 639 .1333 571 67.00 538 568 .1859 572 67.10 552 549 .1812 573 67.20 548 570 .1825 574 67.30 590 610 .1695 575 67.40 682 650 .1466 576 67.50 676 673 .1479 577 67.60 736 697 .1359 578 67.70 746 722 .1340 579 67.80 770 735 .1299 580 67.90 756 724 .1323 581 68.00 730 688 .1370 582 68.10 632 645 .1582 583 68.20 550 614 .1818 584 68.30 530 602 .1887 585 68.40 566 599 .1767 586 68.50 622 590 .1608 587 68.60 648 570 .1543 588 68.70 556 532 .1799 589 68.80 446 497 .2242 590 68.90 416 477 .2404 591 69.00 438 482 .2283 592 69.10 526 510 .1901 593 69.20 518 549 .1931 594 69.30 632 579 .1582 595 69.40 578 575 .1730 596 69.50 572 548 .1748 597 69.60 556 513 .1799 598 69.70 506 485 .1976 599 69.80 476 472 .2101 600 69.90 478 475 .2092 601 70.00 546 482 .1832