31 [CrW6O24]9- -3253.84188071 W 10.88767 10.41468 7.35368 W 8.14686 11.51415 6.05491 W 7.09328 10.30224 3.25951 W 8.85886 8.10782 1.68656 W 11.59955 7.00817 2.98549 W 12.65327 8.22021 5.78080 Cr 9.87327 9.26120 4.52016 O 10.12356 11.01932 5.46295 O 7.97602 9.63790 5.06717 O 9.12824 9.90935 2.76960 O 9.62298 7.50309 3.57741 O 11.77051 8.88451 3.97316 O 10.61831 8.61306 6.27072 O 8.96457 10.63750 7.61975 O 7.61901 11.94107 4.22139 O 7.10905 8.49752 2.50711 O 10.78191 7.88491 1.42058 O 12.12754 6.58133 4.81895 O 12.63751 10.02493 6.53323 O 11.05369 9.56211 8.89842 O 11.44657 12.03704 7.80139 O 8.56577 13.20665 6.37573 O 6.54944 11.40185 6.81669 O 5.44651 10.08195 3.87653 O 6.78664 11.25307 1.79366 O 8.69278 8.96042 0.14186 O 8.29991 6.48547 1.23886 O 11.18059 5.31570 2.66466 O 13.19693 7.12044 2.22359 O 14.30003 8.44049 5.16374 O 12.95996 7.26936 7.24664 32 [Cr(µ3-OH)1W6O23]8- -3254.37144161 W -3.04435 1.03546 0.00080 W -2.50970 -2.12867 -0.06787 W -0.63658 3.18254 0.00253 W 0.72133 -3.20887 -0.06855 W 2.42738 2.14565 -0.02808 W 3.05554 -1.02105 0.01964 Cr 0.01971 0.06175 0.03236 O -4.25299 0.86282 -1.27527 O -3.71838 -2.52526 -1.27345 O -2.20938 2.51830 -0.96206 O -3.95276 1.89111 1.24880 O -0.32815 4.40719 -1.23173 O -1.72231 -0.39626 -0.88486 O -3.35150 -0.69697 0.92475 O -1.41478 4.14198 1.26470 O -1.01867 -3.04991 -0.91202 O -2.83668 -3.29608 1.21462 O 0.54946 1.67175 -0.95310 O -1.17192 1.33346 0.95532 O 1.13845 -1.35079 -0.87857 O 2.88141 3.27774 -1.30569 O -0.54100 -1.60455 1.10737 O 1.08179 3.19563 0.93378 O 1.47877 -4.22269 -1.27994 O 3.28510 0.64857 -0.96724 O 0.28413 -4.35690 1.19928 O 1.74412 0.37294 0.95299 O 3.93123 -1.91539 -1.22658 O 2.23516 -2.56569 0.95291 O 3.65171 2.49720 1.19535 O 4.27745 -0.86634 1.28304 H -0.54539 -1.60170 2.06438 32 [Cr(µ2-OH)1W6O23]8- -3254.35329294 W 10.99775 10.46805 7.31349 W 8.16459 11.44660 6.20231 W 7.07342 10.20605 3.19884 W 8.92969 8.13849 1.62664 W 11.57928 6.98455 3.01351 W 12.63274 8.17167 5.79720 Cr 9.88809 9.27641 4.51046 O 10.11367 11.03244 5.48946 O 7.94930 9.75127 5.02520 O 9.12254 9.90603 2.75680 O 9.60270 7.53348 3.56194 O 11.75294 8.87572 3.98538 O 10.61027 8.65087 6.27696 O 9.01555 10.70122 7.70661 O 7.64097 11.97455 4.21913 O 7.08183 8.50401 2.40478 O 10.81824 7.88128 1.40819 O 12.05344 6.55670 4.85806 O 12.68793 10.01830 6.50269 O 11.14682 9.67319 8.88321 O 11.52464 12.11079 7.69142 O 8.42344 13.18509 6.38458 O 6.53446 11.27422 6.85078 O 5.44958 10.05155 3.86940 O 6.79104 11.30200 1.84277 O 8.75250 9.03685 0.11759 O 8.33080 6.54059 1.16774 O 11.12668 5.31130 2.67427 O 13.18960 7.07038 2.29281 O 14.27409 8.33682 5.16807 O 12.91289 7.27276 7.29250 H 7.52395 12.86834 3.89928 32 [Cr(OtH)1W6O23]8- -3254.36408191 W 10.95920 10.50287 7.24748 W 8.08583 11.23003 6.03872 W 7.10394 10.40718 3.11275 W 8.80734 8.06441 1.71415 W 11.60854 7.02431 2.95937 W 12.63860 8.19630 5.78240 Cr 9.88157 9.21712 4.51586 O 10.10434 10.97764 5.40071 O 7.93432 9.55634 5.17026 O 9.08639 9.90525 2.80854 O 9.59576 7.48169 3.58548 O 11.73574 8.88821 3.95804 O 10.64044 8.64015 6.28415 O 8.93453 10.54652 7.57077 O 7.69727 11.88762 4.20944 O 7.06553 8.55414 2.48128 O 10.74880 7.85572 1.42761 O 12.12603 6.59793 4.83302 O 12.65567 10.09039 6.50422 O 11.14085 9.85279 8.88271 O 11.22472 12.24502 7.50450 O 8.72371 13.07425 6.45097 O 6.49564 11.46143 6.73885 O 5.48158 10.22410 3.78961 O 6.80600 11.30790 1.63966 O 8.68106 8.90606 0.16528 O 8.22863 6.45170 1.29632 O 11.23929 5.31991 2.66642 O 13.21233 7.17035 2.23888 O 14.27302 8.45182 5.16611 O 12.95471 7.32388 7.28423 H 9.66829 13.00153 6.68174 33 iso1-[Cr(OH)2W6O22]7- -3254.89078691 W -3.07388 1.03653 0.00557 W -2.51721 -2.13018 -0.07742 W -0.65005 3.17579 -0.02276 W 0.72311 -3.21825 -0.06815 W 2.41870 2.24154 -0.05757 W 3.11316 -1.11090 -0.08452 Cr -0.04311 0.04752 0.08496 O -4.27188 0.85509 -1.26978 O -3.70364 -2.50121 -1.30535 O -2.20856 2.49604 -0.96815 O -3.96525 1.91721 1.24007 O -0.28829 4.31463 -1.31421 O -1.70097 -0.38201 -0.87663 O -3.35843 -0.69673 0.91189 O -1.40654 4.19469 1.19485 O -1.00239 -3.02840 -0.90744 O -2.85613 -3.31346 1.17951 O 0.59349 1.63274 -0.87660 O -1.18694 1.34462 0.97926 O 1.16043 -1.31933 -0.81400 O 2.92264 3.38591 -1.27690 O -0.56085 -1.60907 1.13995 O 1.09096 3.23879 0.92309 O 1.44863 -4.22756 -1.29283 O 3.12945 0.63413 -0.90226 O 0.31411 -4.34231 1.21900 O 1.67037 0.34575 1.14040 O 3.99662 -1.95592 -1.32940 O 2.31772 -2.60876 0.88550 O 3.62957 2.43415 1.20489 O 4.31272 -0.86433 1.17655 H 1.65191 0.36742 2.09750 H -0.61045 -1.60104 2.09610 33 iso2-[Cr(OH)2W6O22]7- -3254.8907436 W -3.05551 1.02913 -0.00799 W -2.52075 -2.14044 -0.05328 W -0.71790 3.22376 0.06959 W 0.71874 -3.22551 -0.06808 W 2.52162 2.13875 0.05532 W 3.05633 -1.03085 0.01041 Cr 0.00044 -0.00090 0.00104 O -4.25880 0.86800 -1.27872 O -3.73818 -2.52970 -1.24422 O -2.22829 2.55531 -0.94206 O -3.92730 1.90100 1.24530 O -0.28591 4.35997 -1.20242 O -1.72403 -0.40277 -0.89824 O -3.33701 -0.68435 0.93036 O -1.47850 4.22985 1.27772 O -1.02628 -3.05262 -0.89129 O -2.83698 -3.29218 1.23802 O 0.53351 1.58228 -1.11196 O -1.13353 1.35291 0.89968 O 1.13428 -1.35463 -0.89775 O 2.83783 3.29061 -1.23586 O -0.53254 -1.58409 1.11410 O 1.02696 3.05071 0.89317 O 1.47946 -4.23119 -1.27648 O 3.33797 0.68270 -0.92807 O 0.28711 -4.36213 1.20372 O 1.72490 0.40085 0.90037 O 3.92816 -1.90249 -1.24304 O 2.22905 -2.55713 0.94397 O 3.73887 2.52810 1.24642 O 4.25967 -0.86979 1.28109 H 0.50936 1.53737 -2.06807 H -0.50805 -1.53928 2.07020 33 iso3-[Cr(OH)2W6O22]7- -3254.8852273 W -3.05974 1.05070 -0.01830 W -2.52834 -2.11560 -0.04198 W -0.64793 3.20035 0.00749 W 0.66443 -3.28459 -0.00383 W 2.41099 2.14989 0.00719 W 3.15185 -0.96723 0.05694 Cr -0.02090 0.09571 -0.00664 O -4.26021 0.85228 -1.29047 O -3.73470 -2.53626 -1.23178 O -2.20002 2.51765 -0.96993 O -3.96190 1.91430 1.21876 O -0.30529 4.42107 -1.21298 O -1.72769 -0.40327 -0.90372 O -3.34505 -0.67483 0.92982 O -1.44663 4.14832 1.25637 O -1.02653 -3.09162 -0.87287 O -2.82213 -3.25990 1.26085 O 0.55721 1.68049 -0.95673 O -1.17023 1.31970 0.95154 O 1.08765 -1.29472 -1.06407 O 2.90540 3.28926 -1.23756 O -0.49166 -1.61624 1.05587 O 1.05762 3.17774 0.96203 O 1.45915 -4.20745 -1.25105 O 3.33923 0.66300 -0.93861 O 0.31417 -4.47258 1.22423 O 1.73796 0.30648 0.89552 O 3.90092 -1.92481 -1.21534 O 2.13564 -2.44262 0.88139 O 3.59973 2.42980 1.27408 O 4.40347 -0.84642 1.26760 H -0.39661 -1.56135 2.00809 H 0.99922 -1.27734 -2.01831 34 fac1-[Cr(OH)3W6O21]6‒ -3255.40019215 W 3.27266 0.55107 -0.04327 W 1.28362 3.05204 -0.03918 W -2.11286 2.55514 -0.04239 W -3.29081 -0.41415 -0.04191 W -1.15707 -3.10569 -0.04056 W 2.00487 -2.63648 -0.04200 Cr -0.00020 0.00026 0.19071 O 1.35194 1.07021 -0.75643 O -0.25427 1.70551 1.21677 O -1.60538 0.63551 -0.75534 O -1.35181 -1.07106 1.21849 O 0.25272 -1.70545 -0.75685 O 1.60560 -0.63235 1.21659 O 2.75203 2.17424 0.89945 O -0.46265 3.13406 -0.86253 O -3.26191 1.29202 0.90026 O -2.48352 -1.96556 -0.86054 O 0.51306 -3.47272 0.89307 O 2.94202 -1.16352 -0.86799 O 4.40852 0.07655 1.20325 O 4.27848 1.21286 -1.29976 O 2.15258 3.89015 -1.29216 O 1.08762 4.25463 1.21921 O -2.27952 3.77294 1.20639 O -3.18389 3.09258 -1.30341 O -4.44558 -0.07331 -1.29833 O -4.24070 -1.19012 1.20874 O -2.12245 -3.84932 1.21736 O -1.09780 -4.30910 -1.29632 O 2.30334 -3.81050 -1.29192 O 3.14300 -3.05728 1.22016 H -0.24862 1.71207 2.17510 H -1.36106 -1.07793 2.17667 H 1.61680 -0.64873 2.17463 34 mer-[Cr(OH)3W6O21]6‒ -3255.39438401 W -2.95399 -1.51203 0.01789 W -0.03631 -3.31124 0.04277 W -2.85563 1.67898 0.02688 W 2.76231 -1.71461 0.00026 W 0.11364 3.35184 0.01901 W 2.96600 1.49955 -0.02343 Cr 0.03748 -0.04836 -0.05958 O -3.52941 -2.53879 -1.27891 O -0.72060 -4.30919 -1.22607 O -3.48310 0.11563 -0.93283 O -4.20887 -1.60206 1.21966 O -3.36103 2.76247 -1.25273 O -0.84977 -1.43149 -1.17448 O -1.69385 -2.70092 0.85366 O -4.07992 1.85386 1.24829 O 1.60812 -3.01069 -0.92650 O 0.43440 -4.46246 1.26295 O -0.73796 1.52954 -1.09893 O -1.77014 0.04918 0.79026 O 1.79452 0.00200 -0.91247 O -0.42978 4.47352 -1.19410 O 0.79179 -1.56152 0.88459 O -1.52581 2.83694 0.86869 O 3.98362 -1.82485 -1.25197 O 1.71356 2.77169 -0.84525 O 3.39074 -2.74356 1.27031 O 0.83093 1.42083 1.06344 O 4.23982 1.62115 -1.20348 O 3.40442 -0.10079 0.94371 O 0.72571 4.37075 1.28819 O 3.49272 2.54580 1.28071 H -0.76192 -1.42315 -2.12849 H -0.60691 1.52161 -2.04905 H 0.69496 1.35592 2.01054 34 fac2-[Cr(OH)3W6O21]6‒ -3255.38841724 W -3.35906 0.06356 -0.00089 W -1.63910 -2.87828 0.03007 W -1.60664 2.95171 0.01498 W 1.58000 -2.85608 0.02603 W 1.79090 2.77237 0.03085 W 3.26066 -0.08395 -0.00658 Cr 0.09809 -0.06479 -0.06863 O -4.45276 -0.47168 -1.24018 O -2.72492 -3.37532 -1.25457 O -2.81386 1.71366 -0.85733 O -4.40111 0.67325 1.24825 O -1.63528 4.18279 -1.21042 O -1.50758 -0.78464 -1.10615 O -2.84759 -1.54949 0.85812 O -2.63007 3.58093 1.27027 O -0.06670 -3.43235 -0.91707 O -1.82703 -4.11963 1.23539 O -0.00646 1.70365 -1.09658 O -1.44176 0.86773 0.98371 O 1.52407 -0.94242 -0.98999 O 1.72932 3.97593 -1.24321 O -0.09508 -1.74517 0.87923 O 0.06260 3.23461 0.87401 O 2.61740 -3.60124 -1.17410 O 2.97784 1.63063 -0.95539 O 1.57203 -4.03724 1.32213 O 1.50832 0.87901 0.87353 O 4.37127 -0.67461 -1.22689 O 2.84063 -1.71244 0.97194 O 2.82605 3.49018 1.23264 O 4.33599 0.49039 1.25328 H -1.48554 -0.74165 -2.06387 H -0.03899 1.67546 -2.05456 H -1.32247 0.77953 1.93208 35 iso1-[Cr(OH)4W6O20]5‒ -3255.88732093 W 1.64026 -2.89251 -0.05615 W -1.77554 -2.86232 -0.04880 W 3.33051 -0.17325 -0.11378 W -3.36049 0.12217 -0.03625 W 1.71639 2.86502 -0.11263 W -1.48229 2.97893 -0.05248 Cr 0.05484 0.02959 0.12347 O 1.53775 -4.06517 1.23269 O -1.88400 -4.11068 1.14860 O 2.99030 -1.83760 0.84653 O 2.58925 -3.66745 -1.28372 O 4.40287 0.44018 1.11968 O -0.10987 -1.71685 1.11805 O -0.10552 -3.21041 -0.88994 O 4.38957 -0.72724 -1.37230 O -2.91101 -1.55626 0.81317 O -2.81200 -3.39954 -1.32963 O 1.52415 0.81069 1.17210 O 1.46261 -0.92344 -0.81155 O -1.48143 0.86508 1.12579 O 2.82858 3.41596 1.11587 O -1.43762 -0.76414 -0.98582 O 2.77946 1.48258 -0.93302 O -4.44688 0.72358 1.17246 O 0.14672 3.50860 0.85202 O -4.39575 -0.42636 -1.31298 O 0.05205 1.73263 -0.80763 O -2.51301 3.55432 1.23362 O -2.71949 1.70376 -0.87848 O 1.84010 4.05163 -1.37280 O -1.59261 4.19510 -1.28370 H -0.16720 -1.70869 2.07598 H 1.51733 0.79967 2.13087 H -1.27443 -0.67165 -1.92805 H -1.49897 0.80162 2.08323 35 iso2-[Cr(OH)4W6O20]5‒ -3255.8811223 W -3.37222 -0.07075 0.00131 W -1.73559 2.88523 -0.03363 W -1.61213 -2.95860 0.03076 W 1.67374 2.87525 0.05605 W 1.79454 -2.80021 -0.05485 W 3.26996 0.06923 0.00026 Cr 0.10515 0.00122 0.00134 O -4.43877 0.51153 1.23443 O -2.81095 3.49826 1.17924 O -2.80299 -1.68189 0.88354 O -4.42148 -0.69044 -1.22825 O -1.60840 -4.14734 1.29200 O -1.48551 0.83502 1.00923 O -2.86873 1.55858 -0.88718 O -2.65815 -3.62066 -1.18202 O -0.09187 3.24007 0.84893 O -1.78189 4.07149 -1.29661 O 0.01036 -1.66898 1.09348 O -1.44980 -0.89877 -1.00790 O 1.48100 0.94997 0.91922 O 1.74858 -4.00087 1.21436 O -0.05943 1.66436 -1.09223 O 0.04682 -3.24137 -0.85014 O 2.66546 3.62332 1.26859 O 2.96848 -1.63945 0.92673 O 1.57487 4.07267 -1.21272 O 1.51765 -0.88680 -0.91888 O 4.34235 0.64334 1.25263 O 2.90275 1.76809 -0.92087 O 2.82462 -3.49941 -1.26482 O 4.35152 -0.46958 -1.25935 H -1.38944 0.83424 1.96486 H 0.00776 -1.58994 2.04982 H -0.05954 1.58424 -2.04847 H -1.35175 -0.89122 -1.96335 35 iso3-[Cr(OH)4W6O20]5‒ -3255.88705351 W 1.57271 -2.95368 -0.08839 W -1.84234 -2.79960 -0.00261 W 3.33410 -0.27918 -0.07687 W -3.31574 0.28309 0.07503 W 1.86046 2.80328 0.00122 W -1.55432 2.95757 0.08838 Cr 0.00926 0.00195 -0.00037 O 1.45493 -4.13683 1.18892 O -1.93485 -4.01403 1.23293 O 2.93611 -1.93925 0.84982 O 2.50653 -3.73497 -1.32248 O 4.35381 0.29440 1.21795 O -0.13828 -1.66462 1.08211 O -0.18882 -3.21704 -0.87598 O 4.43658 -0.82356 -1.29898 O -2.87060 -1.43959 0.86945 O -2.92818 -3.35902 -1.23488 O 1.47580 0.79483 1.08749 O 1.48601 -0.97160 -0.84915 O -1.46787 0.97523 0.84825 O 2.94695 3.36286 1.23287 O -1.45673 -0.79081 -1.08866 O 2.88871 1.44345 -0.87124 O -4.41908 0.82696 1.29658 O 0.20741 3.22045 0.87582 O -4.33456 -0.29038 -1.22053 O 0.15658 1.66860 -1.08277 O -2.48814 3.73827 1.32290 O -2.91760 1.94365 -0.85065 O 1.95196 4.01776 -1.23429 O -1.43632 4.14142 -1.18820 H -0.24444 -1.56225 2.03060 H 1.33278 0.85484 2.03481 H 0.26269 1.56659 -2.03131 H -1.31289 -0.85106 -2.03585 35 iso4-[Cr(OH)4W6O20]5‒ -3255.88122944 W -1.53569 2.89914 -0.01516 W 1.69552 2.85495 0.08445 W -3.32926 0.20797 -0.07238 W 3.35352 -0.12040 -0.00565 W -1.81411 -2.84735 0.00038 W 1.56593 -2.98924 0.00104 Cr -0.06109 0.09358 0.00088 O -1.57128 4.11451 1.23699 O 1.86202 4.07451 1.30848 O -2.90197 1.81237 0.89234 O -2.50571 3.59375 -1.28993 O -4.34243 -0.41928 1.20590 O 0.08886 1.75576 0.92448 O 0.14428 3.40502 -0.90515 O -4.45323 0.74587 -1.28168 O 2.85608 1.48071 0.88679 O 2.80462 3.35285 -1.17133 O -1.48008 -0.80509 1.07946 O -1.51823 0.89889 -0.92816 O 1.43343 -0.89908 1.01648 O -2.86403 -3.42864 1.25079 O 1.48148 0.76204 -1.07740 O -2.85947 -1.52917 -0.87745 O 4.41259 -0.76385 1.20525 O -0.12714 -3.27791 0.86328 O 4.41533 0.42713 -1.26100 O -0.08333 -1.69971 -1.01643 O 2.57745 -3.64244 1.24471 O 2.75320 -1.75325 -0.86997 O -1.87763 -4.07303 -1.22271 O 1.54994 -4.20555 -1.23116 H -1.42219 -0.76938 2.03658 H -0.11990 -1.60427 -1.97167 H 1.42298 0.73096 -2.03467 H 1.38211 -0.81410 1.97202 36 [Cr(OH)5W6O19]4‒ -3256.36282439 W -1.70155 2.92834 -0.02864 W 1.72815 2.86148 -0.11992 W -3.39594 -0.00519 -0.03144 W 3.34098 0.07776 -0.08865 W -1.69659 -2.94109 -0.00873 W 1.69420 -2.92575 0.03206 Cr 0.04514 0.03030 0.08139 O -1.73483 4.15339 1.19178 O 1.68903 4.06958 1.13101 O -2.86303 1.63103 0.82387 O -2.73993 3.52202 -1.27688 O -4.47742 -0.58893 1.18175 O -0.05386 1.70643 1.11258 O -0.03029 3.20190 -0.89826 O -4.41845 0.57155 -1.29769 O 3.02923 1.76549 0.81076 O 2.69041 3.55094 -1.38040 O -1.49947 -0.85974 1.05295 O -1.43457 0.82758 -1.00946 O 1.43844 -0.87272 1.13941 O -2.74985 -3.57178 1.20597 O 1.48991 0.85905 -0.84275 O -2.82168 -1.63938 -0.87664 O 4.35081 -0.54539 1.18312 O -0.01934 -3.28660 0.86339 O 4.43629 0.54844 -1.34144 O 0.01221 -1.66715 -0.98560 O 2.72756 -3.52310 1.28281 O 2.76354 -1.62334 -0.85353 O -1.69872 -4.12816 -1.26334 O 1.72457 -4.15066 -1.18777 H -0.10007 1.67088 2.07138 H -1.47203 -0.83743 2.01356 H 0.07579 -1.54418 -1.93713 H -1.29155 0.80721 -1.96006 H 1.37934 -0.87916 2.09797 37 [Cr(OH)6W6O18]3‒ -3256.82566019 W -3.22984 1.08537 -0.00314 W -2.55443 -2.25536 0.00192 W -0.67556 3.33955 0.00117 W 0.67649 -3.34078 -0.00134 W 2.55512 2.25437 -0.00161 W 3.23080 -1.08669 0.00368 Cr 0.00047 -0.00052 0.00051 O -4.40621 0.86408 -1.24253 O -3.72555 -2.51708 -1.23398 O -2.16371 2.45291 -0.84091 O -4.03601 1.97115 1.23515 O -0.31899 4.48479 -1.23564 O -1.64377 -0.33491 -1.04358 O -3.20590 -0.64713 0.83752 O -1.45476 4.24060 1.24567 O -1.04237 -3.10261 -0.83759 O -2.95226 -3.37717 1.24710 O 0.53174 1.59141 -1.04224 O -1.11249 1.25638 1.04226 O 1.11348 -1.25730 -1.04130 O 2.95309 3.37589 -1.24705 O -0.53078 -1.59248 1.04296 O 1.04321 3.10206 0.83799 O 1.45538 -4.24123 -1.24644 O 3.20674 0.64596 -0.83667 O 0.32008 -4.48669 1.23486 O 1.64454 0.33413 1.04462 O 4.03740 -1.97193 -1.23469 O 2.16478 -2.45457 0.84105 O 3.72619 2.51617 1.23436 O 4.40690 -0.86537 1.24332 H -1.57434 -0.32144 -2.00330 H 0.50775 1.52973 -2.00224 H 1.57515 0.32212 2.00436 H -0.50499 -1.53044 2.00289 H -1.07286 1.20521 2.00234 H 1.07444 -1.20564 -2.00139