16 (CH2SiMe3)- Si 13.987916 10.850821 2.054649 C 13.978427 9.295774 2.912963 H 13.940035 8.373937 2.323856 H 14.604656 9.186361 3.804091 C 15.514679 11.487219 1.009916 H 15.754673 10.768547 0.215614 H 16.404378 11.564914 1.648189 H 15.353421 12.468653 0.537394 C 13.712363 12.336408 3.250096 H 14.473612 12.339888 4.040416 H 12.735900 12.254008 3.738227 H 13.763946 13.306306 2.738262 C 12.576653 10.962676 0.746479 H 12.644876 10.129201 0.036029 H 12.611087 11.894285 0.166466 H 11.598977 10.895005 1.234631 16 (CH2CMe3)- C 13.927648183551 11.000442140769 1.999253164891 C 13.895318492791 9.665755329755 2.749289654471 H 14.112641104461 8.859673512572 2.012847964217 H 14.760447035577 9.651993977350 3.449854432005 C 15.253943214320 11.303888688022 1.228304253208 H 15.442466361726 10.509385941647 0.497299548570 H 16.094499872210 11.303173016353 1.931616908039 H 15.263075237980 12.273351242683 0.687624567819 C 13.704331850680 12.153993457928 3.002467386599 H 14.521619284836 12.176585801309 3.734198942866 H 12.777723149430 11.976547905769 3.555605927937 H 13.658452614078 13.142257027352 2.515981342189 C 12.778583556214 11.032277956176 0.966818468006 H 12.925080865122 10.243514117818 0.218135970008 H 12.707685831462 11.994658820599 0.433410841278 H 11.832081345565 10.826506063897 1.474568627897 82 [(thp)4Mg(I)(CH2SiMe3)] Mg 12.246320 8.107705 4.334102 I 10.516621 6.435684 6.123087 Si 13.762493 10.772146 2.101665 O 13.376348 8.771894 6.220744 O 10.735069 9.776114 4.752242 O 10.992685 7.274222 2.537245 O 13.586624 6.159672 4.214105 C 13.715762 9.179657 3.061617 H 14.057648 8.411417 2.348100 H 14.562984 9.263580 3.763782 C 15.418244 11.015317 1.185049 H 15.593397 10.206466 0.467394 H 16.260608 11.014853 1.884965 H 15.448386 11.960401 0.631228 C 13.574845 12.307800 3.213409 H 14.419290 12.399864 3.904917 H 12.659184 12.279300 3.810234 H 13.551035 13.222630 2.612086 C 12.434194 10.888590 0.741999 H 12.551861 10.079929 0.013501 H 12.524158 11.832369 0.193802 H 11.415851 10.833250 1.136278 C 13.713435 10.166342 6.371625 H 13.069908 10.594001 7.153491 H 13.467859 10.634759 5.422299 C 15.180892 10.355237 6.740007 H 15.377715 11.424442 6.869959 H 15.804363 10.011946 5.907484 C 15.522605 9.571792 8.013432 H 15.002648 10.022681 8.868114 H 16.593170 9.630758 8.229299 C 15.079420 8.111383 7.859814 H 15.204248 7.561523 8.798414 H 15.705323 7.615184 7.110621 C 13.618191 8.019553 7.431119 H 12.956969 8.407205 8.217466 H 13.306528 7.001263 7.211812 C 9.819625 10.173276 3.710809 H 10.294323 9.889858 2.773886 H 8.896149 9.589437 3.826342 C 9.512820 11.666513 3.766072 H 10.422060 12.227839 3.531666 H 8.780213 11.903388 2.987215 C 8.989089 12.067118 5.151521 H 8.876803 13.152700 5.220899 H 7.992119 11.635122 5.303714 C 9.935321 11.546108 6.241778 H 10.888562 12.084208 6.197449 H 9.513604 11.715404 7.238023 C 10.188721 10.053504 6.063698 H 10.909480 9.659628 6.775328 H 9.265859 9.475304 6.183048 C 11.693753 6.772896 1.378819 H 11.732833 5.677479 1.449740 H 12.705146 7.164113 1.451881 C 11.016920 7.191727 0.077961 H 11.073199 8.279981 -0.018135 H 11.575090 6.763579 -0.761445 C 9.552421 6.738091 0.055082 H 9.508748 5.643127 -0.002011 H 9.042244 7.121290 -0.833097 C 8.848122 7.207771 1.333550 H 7.837291 6.792439 1.401751 H 8.747015 8.298603 1.320935 C 9.628393 6.788135 2.575103 H 9.655019 5.695155 2.668383 H 9.192015 7.178025 3.490644 C 15.018952 6.210304 4.064289 H 15.269945 5.966239 3.021972 H 15.304537 7.244177 4.243218 C 15.719237 5.247798 5.020492 H 15.544191 5.577675 6.049554 H 16.799048 5.298646 4.843973 C 15.196823 3.816042 4.845507 H 15.626255 3.154564 5.603310 H 15.517559 3.428681 3.869862 C 13.665288 3.809259 4.919690 H 13.263678 2.820789 4.673524 H 13.326368 4.051897 5.931646 C 13.075123 4.832472 3.958071 H 13.319110 4.568895 2.918676 H 11.995887 4.901490 4.073220 82 [(thp)4Ca(I)(CH2SiMe3)] Ca 12.243300 8.118201 4.377672 I 10.210081 6.483011 6.319354 Si 13.882653 10.951810 2.073936 O 13.382299 8.907490 6.448192 O 10.608720 9.935630 4.681668 O 10.971677 7.183450 2.416636 O 13.597361 6.036788 4.192894 C 13.950684 9.316837 2.938438 H 14.235173 8.569532 2.176526 H 14.820696 9.348775 3.620015 C 15.466298 11.428469 1.118642 H 15.697696 10.684268 0.348844 H 16.329745 11.476922 1.790876 H 15.376851 12.401811 0.622480 C 13.569495 12.390768 3.285334 H 14.407560 12.518689 3.979402 H 12.666299 12.227107 3.880571 H 13.450902 13.338516 2.749552 C 12.486861 11.003875 0.775241 H 12.621189 10.220160 0.021852 H 12.473556 11.962548 0.246148 H 11.500309 10.862639 1.227212 C 14.144740 10.134139 6.462293 H 13.664975 10.826983 7.167942 H 14.066740 10.547372 5.459304 C 15.595189 9.882150 6.861567 H 16.125495 10.839402 6.893364 H 16.073956 9.275919 6.085034 C 15.673058 9.162627 8.215470 H 15.339718 9.844117 9.008253 H 16.706785 8.891955 8.448362 C 14.774042 7.918963 8.207157 H 14.719630 7.466429 9.202471 H 15.187993 7.162034 7.532009 C 13.363843 8.270631 7.748629 H 12.887447 8.960972 8.458468 H 12.719775 7.399166 7.644187 C 9.605663 10.181739 3.675292 H 10.025575 9.810295 2.740784 H 8.717365 9.583177 3.919543 C 9.254060 11.663270 3.590956 H 10.130752 12.218229 3.242374 H 8.466100 11.798736 2.842714 C 8.806981 12.191739 4.961122 H 8.647593 13.272809 4.922216 H 7.844840 11.738296 5.229744 C 9.850790 11.835969 6.029100 H 10.770478 12.404976 5.854516 H 9.491047 12.098558 7.029322 C 10.166742 10.344692 5.996978 H 10.977019 10.079856 6.674419 H 9.294009 9.740783 6.269574 C 11.669838 7.019221 1.162385 H 11.986129 5.969404 1.080541 H 12.555593 7.647431 1.232797 C 10.792217 7.407639 -0.023632 H 10.590109 8.482520 0.022640 H 11.350531 7.228069 -0.948327 C 9.474397 6.622002 -0.014589 H 9.678059 5.564751 -0.226767 H 8.808691 6.978423 -0.805644 C 8.800871 6.740411 1.358759 H 7.925716 6.086200 1.425975 H 8.447050 7.765339 1.516107 C 9.773346 6.370951 2.472466 H 10.072185 5.316982 2.388035 H 9.355973 6.519878 3.466434 C 14.976128 6.021002 3.766684 H 15.019365 5.592877 2.755089 H 15.284156 7.062922 3.705135 C 15.845247 5.213485 4.725347 H 15.860326 5.715200 5.699026 H 16.873997 5.205281 4.350345 C 15.302326 3.787007 4.883066 H 15.866549 3.241655 5.644804 H 15.438343 3.242251 3.940091 C 13.810237 3.827135 5.238986 H 13.375827 2.822436 5.229593 H 13.669313 4.225572 6.249069 C 13.036907 4.704541 4.261848 H 13.056409 4.274996 3.249939 H 12.004203 4.832817 4.583265 82 [(thp)4Ca(I)(CH2CMe3)] Ca 12.266472 8.282411 4.314969 I 10.127701 6.722621 6.236414 O 13.462794 8.960706 6.430283 O 10.623036 10.116465 4.612651 O 11.010748 7.267879 2.359047 O 13.588556 6.193659 4.149907 C 13.976698 9.481416 2.853434 H 14.274387 8.756308 2.069926 H 14.893637 9.546591 3.474124 C 15.108379 11.241677 1.361745 H 15.342184 10.486608 0.604239 H 15.966311 11.305082 2.038807 H 15.009089 12.210066 0.852739 C 13.537830 11.964946 3.166854 H 14.369767 12.074120 3.871492 H 12.634206 11.733989 3.737434 H 13.397451 12.937286 2.679371 C 12.660723 10.805773 1.136774 H 12.836021 10.042905 0.370705 H 12.531932 11.765006 0.621201 H 11.720301 10.565733 1.642250 C 14.422134 10.040121 6.438211 H 14.045032 10.829762 7.104068 H 14.448862 10.422034 5.420967 C 15.794561 9.562774 6.901215 H 16.479836 10.416516 6.917798 H 16.186394 8.851379 6.166056 C 15.705420 8.899216 8.282128 H 15.468814 9.661359 9.035333 H 16.669133 8.466585 8.565647 C 14.606478 7.827748 8.283275 H 14.438502 7.436916 9.291958 H 14.908291 6.980553 7.657705 C 13.293134 8.389709 7.750654 H 12.913227 9.178637 8.414730 H 12.521441 7.628507 7.650533 C 9.390098 10.052293 3.862868 H 9.645093 9.570261 2.918739 H 8.692606 9.403600 4.407565 C 8.800797 11.441646 3.645220 H 9.480244 12.023349 3.013272 H 7.854727 11.343935 3.102542 C 8.592500 12.154870 4.987640 H 8.255061 13.182946 4.829309 H 7.802749 11.643945 5.551783 C 9.893513 12.132220 5.800915 H 10.646858 12.763406 5.317362 H 9.731716 12.531653 6.807534 C 10.431415 10.710251 5.917383 H 11.409459 10.685166 6.397394 H 9.753458 10.065145 6.488516 C 11.760992 7.060365 1.142244 H 12.061507 6.003494 1.099570 H 12.653092 7.675999 1.236344 C 10.941579 7.432025 -0.089221 H 10.747627 8.509326 -0.072023 H 11.537485 7.228308 -0.985029 C 9.617177 6.657793 -0.121271 H 9.820778 5.594810 -0.302708 H 8.988815 7.002585 -0.947339 C 8.885478 6.809971 1.219288 H 8.004973 6.160891 1.263039 H 8.529216 7.839678 1.335840 C 9.806752 6.464473 2.384219 H 10.101068 5.406732 2.340794 H 9.347367 6.641754 3.354715 C 14.952896 6.175485 3.680041 H 14.965798 5.728608 2.675813 H 15.255048 7.217470 3.589204 C 15.854214 5.388154 4.625828 H 15.900430 5.909582 5.588059 H 16.870182 5.372764 4.217731 C 15.318689 3.964243 4.828982 H 15.908731 3.434287 5.581999 H 15.424671 3.401606 3.892719 C 13.838654 4.008031 5.232547 H 13.407621 3.002184 5.258422 H 13.730215 4.427557 6.238119 C 13.032255 4.863445 4.262675 H 13.021413 4.412800 3.259871 H 12.008313 4.996986 4.610184 C 13.829032 10.852516 2.140769 82 [(thp)4Sr(I)(CH2SiMe3)] Sr 12.175224 8.022754 4.316985 I 10.068747 6.298760 6.297128 Si 14.010724 10.938544 1.994612 O 13.306351 8.893348 6.531323 O 10.443147 9.965895 4.630383 O 10.877368 7.080917 2.222563 O 13.692553 5.862324 4.226197 C 14.025248 9.280400 2.805810 H 14.248554 8.532476 2.023543 H 14.899706 9.246510 3.482113 C 15.593483 11.406021 1.031103 H 15.794854 10.681071 0.234941 H 16.466797 11.409393 1.692358 H 15.524372 12.397097 0.567601 C 13.758539 12.345579 3.258165 H 14.594167 12.400981 3.964877 H 12.841164 12.208819 3.839378 H 13.696073 13.318621 2.759480 C 12.595676 11.081079 0.721700 H 12.690866 10.323990 -0.064601 H 12.600995 12.059225 0.229243 H 11.613161 10.952183 1.187089 C 14.157841 10.058601 6.508053 H 13.720437 10.818297 7.171140 H 14.128828 10.430354 5.484896 C 15.578565 9.716680 6.946060 H 16.179668 10.631629 6.949939 H 16.022788 9.043677 6.204638 C 15.577606 9.050658 8.329304 H 15.279279 9.786979 9.086220 H 16.584170 8.716550 8.596154 C 14.591131 7.874581 8.352120 H 14.487540 7.467850 9.363152 H 14.960322 7.062975 7.715381 C 13.218267 8.307793 7.851260 H 12.778477 9.054248 8.527444 H 12.520784 7.475193 7.762701 C 9.498564 10.354149 3.614640 H 9.913716 10.005984 2.668266 H 8.555147 9.821169 3.796258 C 9.275297 11.863266 3.610071 H 10.207305 12.359557 3.321239 H 8.527478 12.110382 2.849422 C 8.828957 12.346014 4.997254 H 8.762275 13.437149 5.020690 H 7.823550 11.961981 5.209832 C 9.802193 11.839720 6.071140 H 10.772338 12.335783 5.957378 H 9.432893 12.073734 7.074920 C 9.994351 10.331283 5.955193 H 10.757955 9.960799 6.638137 H 9.064588 9.790210 6.167814 C 11.439161 7.211073 0.898786 H 11.858941 6.238271 0.605525 H 12.254409 7.927882 0.990470 C 10.388229 7.666339 -0.108822 H 10.071524 8.683565 0.144863 H 10.846306 7.714703 -1.101951 C 9.179677 6.720084 -0.104128 H 9.477680 5.748361 -0.517956 H 8.387139 7.106438 -0.751125 C 8.663930 6.523470 1.328188 H 7.884148 5.756217 1.364145 H 8.216055 7.452505 1.697698 C 9.798161 6.116855 2.261930 H 10.204285 5.137488 1.972334 H 9.481650 6.063639 3.303418 C 15.008459 5.854291 3.633653 H 14.971606 5.245842 2.718651 H 15.218058 6.884793 3.350104 C 16.048455 5.298135 4.601394 H 16.133515 5.976414 5.457823 H 17.024380 5.282973 4.105227 C 15.650476 3.895281 5.081159 H 16.342054 3.539963 5.850349 H 15.725294 3.192214 4.241834 C 14.209604 3.904381 5.610016 H 13.866155 2.889748 5.835020 H 14.153031 4.473964 6.543836 C 13.258830 4.532652 4.597298 H 13.204919 3.923467 3.683760 H 12.255631 4.647435 5.007912 82 [(thp)4Ba(I)(CH2SiMe3)] Ba 12.246735 8.045751 4.260491 I 10.057533 6.240248 6.373551 Si 14.089108 10.952354 1.896496 O 13.430416 9.002000 6.625966 O 10.401744 10.148540 4.586147 O 10.817008 7.044670 2.075437 O 13.809678 5.723159 4.193473 C 14.242221 9.261328 2.608773 H 14.443495 8.546096 1.792041 H 15.135714 9.223254 3.258651 C 15.616633 11.661104 0.992511 H 15.897739 11.025103 0.146251 H 16.481424 11.705275 1.663453 H 15.443747 12.672607 0.606419 C 13.662468 12.229281 3.250274 H 14.464952 12.304129 3.992753 H 12.744796 11.953084 3.780407 H 13.518831 13.230615 2.830382 C 12.673342 11.020942 0.615996 H 12.860142 10.332136 -0.215427 H 12.567135 12.023189 0.187788 H 11.708998 10.749421 1.059292 C 14.510873 9.956298 6.579570 H 14.200841 10.858936 7.124493 H 14.639393 10.216780 5.528547 C 15.787462 9.377174 7.182188 H 16.571218 10.141150 7.160604 H 16.130203 8.547685 6.553749 C 15.537086 8.883192 8.614366 H 15.350937 9.745438 9.267094 H 16.424243 8.378642 9.007183 C 14.320280 7.947398 8.651419 H 14.054438 7.687637 9.680873 H 14.550593 7.009793 8.133960 C 13.116288 8.597118 7.978376 H 12.797562 9.488370 8.537631 H 12.269851 7.913840 7.898188 C 9.397957 10.475684 3.607327 H 9.801837 10.157320 2.644873 H 8.496922 9.882905 3.818126 C 9.077343 11.967240 3.612301 H 9.965434 12.522404 3.293269 H 8.289018 12.165152 2.878722 C 8.650066 12.419416 5.015532 H 8.508019 13.503167 5.043112 H 7.682748 11.966074 5.265056 C 9.697441 11.984898 6.050174 H 10.625957 12.545489 5.896532 H 9.353645 12.196232 7.067864 C 9.989167 10.492823 5.927418 H 10.811059 10.188394 6.576047 H 9.111734 9.888546 6.188613 C 11.307422 7.194471 0.727192 H 11.713226 6.227850 0.396066 H 12.127151 7.911781 0.783542 C 10.203298 7.662129 -0.215919 H 9.897928 8.674532 0.069653 H 10.605610 7.725881 -1.231959 C 8.998930 6.711725 -0.157264 H 9.277446 5.745959 -0.597674 H 8.172245 7.102753 -0.756871 C 8.558865 6.496521 1.297853 H 7.782549 5.727950 1.364838 H 8.130294 7.420490 1.701598 C 9.742276 6.080949 2.165060 H 10.130122 5.103351 1.845994 H 9.480603 6.018749 3.222237 C 15.069478 5.668449 3.493987 H 14.966009 4.974557 2.647400 H 15.238950 6.670935 3.100063 C 16.195678 5.215891 4.418856 H 16.344497 5.976790 5.193278 H 17.126380 5.154806 3.845506 C 15.857078 3.866374 5.068173 H 16.617198 3.592595 5.805276 H 15.867916 3.083116 4.299551 C 14.466780 3.920351 5.717166 H 14.159548 2.932022 6.073151 H 14.482931 4.582831 6.589512 C 13.425828 4.436548 4.729826 H 13.307652 3.736443 3.890515 H 12.454485 4.585400 5.203183 17 SiMe4 C -0.899257 1.273473 1.543624 H -1.245061 2.311369 1.574323 H -1.248195 0.782096 2.457155 H 0.194636 1.289157 1.574526 C -0.899238 1.273459 -1.543621 H 0.194657 1.290959 -1.573475 H -1.246468 0.780864 -2.457147 H -1.246755 2.310750 -1.575373 C -3.420927 0.382537 -0.000017 H -3.818669 -0.127108 -0.883056 H -3.818686 -0.127543 0.882761 H -3.819552 1.401761 0.000228 C -0.899625 -1.399564 0.000016 H -1.246619 -1.945248 0.882972 H -1.246941 -1.945370 -0.882738 H 0.194219 -1.433752 -0.000180 Si -1.530400 0.382877 0.000002