52
[Pd4Cl8(SbMe2Cl)4] - 1
Sb      -1.284696000      9.346014000     11.173790000
Sb       0.392055000     11.655412000      7.177132000
Sb       2.734645000      4.925247000      7.309952000
Sb       5.581618000      7.765650000     10.105629000
Pd       1.086589000      9.749990000     10.461709000
Pd       0.299454000      9.194969000      7.657703000
Pd       2.090169000      6.314411000      9.292586000
Pd       3.925104000      8.447949000      8.352993000
Cl       3.361796000     10.172314000      9.816493000
Cl       1.487732000      7.590162000     11.238277000
Cl       0.168287000      6.833257000      8.079964000
Cl       2.388137000      9.106090000      6.628325000
Cl       0.528034000     11.976194000     10.037858000
Cl      -1.908972000      9.470486000      8.360535000
Cl       3.920346000      5.408842000     10.419616000
Cl       4.868960000      6.852161000      6.937571000
Cl      -1.026040000      9.282474000     13.567413000
Cl       0.208422000     11.638205000      4.775351000
Cl       1.081172000      3.179457000      7.416293000
Cl       7.131922000      9.603464000      9.995322000
C       -2.136083000      7.394333000     10.976709000
H       -1.913505000      6.854949000     11.902125000
H       -1.662428000      6.926387000     10.108502000
H       -3.214689000      7.508965000     10.824073000
C       -2.790709000     10.871060000     11.189465000
H       -3.064366000     11.047607000     12.234206000
H       -3.638632000     10.514609000     10.595903000
H       -2.343943000     11.761342000     10.736436000
C        2.259215000     12.695388000      7.262324000
H        2.056869000     13.728162000      7.566080000
H        2.697040000     12.646539000      6.260895000
H        2.879412000     12.182025000      8.003186000
C       -1.262131000     12.984689000      7.479292000
H       -2.060387000     12.397257000      7.943355000
H       -1.561686000     13.359834000      6.495849000
H       -0.932243000     13.788968000      8.144563000
C        4.370913000      3.543667000      7.340519000
H        5.305043000      4.108933000      7.386304000
H        4.301261000      2.939930000      6.428754000
H        4.234443000      2.919841000      8.229055000
C        2.260629000      5.574313000      5.327297000
H        3.080135000      5.270390000      4.667354000
H        2.171474000      6.664271000      5.363389000
H        1.315971000      5.095952000      5.051829000
C        5.110735000      7.970547000     12.182019000
H        5.518280000      8.931688000     12.509520000
H        5.566420000      7.130342000     12.716713000
H        4.019887000      7.940544000     12.263174000
C        7.108989000      6.300323000      9.776488000
H        7.908315000      6.504384000     10.497201000
H        7.464594000      6.444735000      8.751581000
H        6.676394000      5.305284000      9.909687000
46
[Pd2Cl4(SbMe2Cl)4] - 2
Sb      -1.039471000      0.642794000     11.977202000
Sb       0.762555000     -2.351665000     11.243022000
Pd       0.542566000     -0.836497000     13.253734000
Cl      -3.147399000     -0.167005000     12.783666000
Cl      -1.479032000     -3.233925000     10.979657000
Cl       0.475840000      0.783712000     15.041696000
Cl       1.867395000     -2.445130000     14.418763000
C       -1.483746000      2.673376000     12.469974000
H       -2.508143000      2.846966000     12.123180000
H       -0.766387000      3.324878000     11.964828000
H       -1.423821000      2.769885000     13.557168000
C       -1.581122000      0.492275000      9.908088000
H       -2.457261000      1.136362000      9.773655000
H       -1.847835000     -0.551611000      9.713413000
H       -0.743638000      0.823894000      9.287943000
C        0.923620000     -1.719247000      9.197422000
H        1.190311000     -0.658050000      9.202431000
H       -0.033383000     -1.912164000      8.703961000
H        1.734219000     -2.303714000      8.749455000
C        1.665518000     -4.281261000     11.426903000
H        1.249784000     -4.746344000     12.325424000
H        2.746653000     -4.144286000     11.514488000
H        1.394155000     -4.848583000     10.529771000
Sb       4.212655000     -0.801745000     14.330871000
Sb       2.762782000      2.454771000     14.099508000
Pd       2.973458000      0.488957000     12.546464000
Cl       6.240344000      0.492614000     14.623301000
Cl       4.583180000      3.817615000     13.338271000
Cl       3.444515000     -1.356245000     11.105733000
Cl       1.577149000      1.685868000     10.984180000
C        5.252795000     -2.607927000     13.852606000
H        5.932871000     -2.815083000     14.686255000
H        4.512399000     -3.401364000     13.719894000
H        5.809361000     -2.425189000     12.928863000
C        3.739182000     -0.830862000     16.424925000
H        3.786033000     -1.877594000     16.743826000
H        4.476036000     -0.216557000     16.950586000
H        2.717895000     -0.454040000     16.536217000
C        3.334637000      2.550255000     16.163282000
H        2.618280000      1.985702000     16.766718000
H        4.347738000      2.142434000     16.241024000
H        3.334508000      3.612404000     16.432476000
C        1.329648000      4.025054000     13.893111000
H        1.144820000      4.163539000     12.824674000
H        0.419229000      3.746596000     14.429579000
H        1.800110000      4.916470000     14.321851000
33
[Pd(Me2SbCl)2(Me2SbCl2)] - 3
Sb       7.612755000      6.392686000     -2.970126000
Sb       8.005941000      5.733861000      0.679120000
Sb       8.402501000      2.146575000     -0.249912000
Pd       7.999524000      4.362809000     -1.461981000
Cl       7.990398000      3.093879000     -3.441721000
Cl       9.542415000      6.839207000     -4.232030000
Cl       9.796161000      7.288423000     -0.242785000
Cl       6.218242000      4.244216000      1.708359000
Cl       6.480607000      0.800763000     -0.352692000
C        6.231192000      6.064242000     -4.575759000
H        5.219194000      6.028518000     -4.152934000
H        6.324649000      6.884503000     -5.295744000
H        6.484429000      5.100607000     -5.028679000
C        7.130507000      8.405152000     -2.391689000
H        7.920656000      8.746660000     -1.715981000
H        7.090646000      9.014596000     -3.301306000
H        6.156869000      8.400712000     -1.886305000
C        6.722439000      7.402228000      1.094182000
H        6.523710000      7.386242000      2.171360000
H        7.231809000      8.320197000      0.787994000
H        5.785501000      7.246313000      0.549766000
C        9.286908000      5.419062000      2.371285000
H       10.221439000      4.980258000      2.007013000
H        9.491691000      6.406890000      2.798189000
H        8.772795000      4.765934000      3.081932000
C        8.903108000      1.839119000      1.816997000
H        8.120299000      2.316150000      2.414677000
H        8.940367000      0.758783000      1.995525000
H        9.880393000      2.297338000      2.012782000
C        9.784342000      0.832897000     -1.229340000
H       10.794150000      1.242496000     -1.100207000
H        9.706155000     -0.162558000     -0.778922000
H        9.517841000      0.816071000     -2.290757000
86
[Pd2(SbMe2Cl)8]Cl4 - 4
Sb       4.855213000      2.966053000      9.132604000
Sb       5.121989000      5.197339000     12.006554000
Sb       1.562450000      5.942035000     11.756761000
Sb       1.294419000      3.710386000      8.885086000
Pd       3.253938000      4.624327000     10.308182000
Cl       5.103769000      1.410523000     10.985305000
Cl       1.107494000      6.280496000      7.783874000
Cl       4.634230000      4.612632000      6.875381000
Cl       1.293726000      1.447716000      9.775638000
Cl       0.386999000      4.033896000     12.695425000
Cl       4.199104000      3.991958000     13.904913000
Sb       2.625762000      9.905810000      8.565648000
Sb       2.359106000      7.675265000      5.691092000
Sb       5.918322000      6.930067000      5.940615000
Sb       6.186430000      9.161768000      8.812886000
Pd       4.227205000      8.247626000      7.389755000
Cl       2.376663000     11.461104000      6.712796000
Cl       6.374121000      6.591561000      9.914100000
Cl       2.846876000      8.259434000     10.822638000
Cl       6.187226000     11.424667000      7.923018000
Cl       7.093546000      8.838270000      5.001920000
Cl       3.281565000      8.880031000      3.792199000
C        5.593583000      6.080538000      3.995361000
H        6.581625000      6.040761000      3.523198000
H        5.160045000      5.083129000      4.109034000
H        4.935059000      6.759561000      3.444835000
C        2.108262000      5.841438000      4.603976000
H        2.803972000      5.102612000      5.010397000
H        1.072844000      5.521499000      4.756783000
H        2.312753000      6.058791000      3.551000000
C        0.454136000      8.641346000      5.473251000
H        0.158739000      8.479786000      4.430474000
H       -0.257027000      8.188030000      6.169202000
H        0.602886000      9.708235000      5.666862000
C        0.511925000      9.681377000      8.862919000
H        0.233181000      8.657184000      8.601389000
H        0.318064000      9.875558000      9.922469000
H        0.015865000     10.415655000      8.220662000
C        3.143391000     11.492368000      9.917193000
H        2.333047000     12.225391000      9.834583000
H        3.219625000     11.088417000     10.930449000
H        4.086563000     11.926067000      9.570473000
C        6.119425000      9.804157000     10.859491000
H        5.149045000      9.522860000     11.276670000
H        6.929114000      9.284850000     11.381600000
H        6.266017000     10.888694000     10.862519000
C        8.287909000      8.934668000      8.435024000
H        8.771828000      9.778130000      8.940195000
H        8.622526000      7.976110000      8.840925000
H        8.436211000      9.001835000      7.352715000
C        6.969133000      3.189715000      8.835318000
H        7.248513000      4.213512000      9.097722000
H        7.464891000      2.454577000      9.476823000
H        7.162647000      2.996420000      7.775547000
C        4.337320000      1.379707000      7.780905000
H        5.147251000      0.646274000      7.863907000
H        3.393763000      0.946514000      8.127216000
H        4.261726000      1.783654000      6.767598000
C        1.361449000      3.067464000      6.838659000
H        2.332143000      3.347763000      6.421555000
H        1.213906000      1.983048000      6.836021000
H        0.552315000      3.587266000      6.316185000
C       -0.807119000      3.937295000      9.262784000
H       -1.291010000      3.093998000      8.757312000
H       -0.955240000      3.869800000     10.345093000
H       -1.141832000      4.895893000      8.857046000
C       -0.227340000      6.920825000     11.090107000
H       -0.222578000      6.938137000      9.997173000
H       -1.075062000      6.353177000     11.486177000
H       -0.199965000      7.938743000     11.491461000
C        1.887176000      6.791346000     13.702125000
H        0.899212000      6.830809000     14.174477000
H        2.545968000      6.112440000     14.252474000
H        2.320448000      7.788883000     13.588529000
C        7.026984000      4.231371000     12.224703000
H        7.321883000      4.392322000     13.267718000
H        6.878492000      3.164573000     12.030411000
H        7.738424000      4.685209000     11.529376000
C        5.372612000      7.030913000     13.094141000
H        4.676161000      7.769527000     12.688607000
H        5.169026000      6.812986000     14.147178000
H        6.407741000      7.351471000     12.940698000
C        7.708057000      5.951477000      6.607622000
H        7.703161000      5.934701000      7.700566000
H        7.680744000      4.933379000      6.206734000
H        8.555923000      6.518809000      6.211381000
53
[Pd(Me2SbCl)5]Cl2 - 5
Sb       3.479940000      8.159070000      4.278811000
Sb       0.211174000      8.206383000      2.852726000
Sb      -0.249136000     11.771944000      3.959769000
Sb       3.062858000     11.721348000      5.414253000
Sb       2.788736000     11.088244000      1.513141000
Pd       1.729203000     10.052101000      3.892797000
Cl       5.525226000      9.475853000      3.859666000
Cl      -0.843907000      9.559521000      1.080521000
Cl       1.324397000      6.473373000      4.714532000
Cl      -2.234665000     10.499439000      4.548853000
Cl       3.938289000     10.401419000      7.259243000
Cl       3.397932000      9.237250000      0.050158000
C        4.191054000      7.287158000      6.105510000
H        5.157502000      7.743424000      6.335920000
H        4.269959000      6.211935000      5.907754000
H        3.456450000      7.490144000      6.887847000
C        4.084388000      6.778569000      2.752379000
H        3.455069000      5.887115000      2.817741000
H        5.136131000      6.552319000      2.959985000
H        3.989668000      7.282187000      1.784898000
C        0.893956000      6.822254000      1.363257000
H        1.697987000      7.304752000      0.798101000
H        0.031847000      6.637583000      0.712914000
H        1.230351000      5.910619000      1.864160000
C       -1.627364000      7.367356000      3.572618000
H       -1.696432000      7.569816000      4.643717000
H       -1.556620000      6.290916000      3.378633000
H       -2.445522000      7.839967000      3.022516000
C       -1.097522000     12.744418000      2.247809000
H       -0.938880000     13.818692000      2.390987000
H       -2.159398000     12.479283000      2.230855000
H       -0.598078000     12.386230000      1.346948000
C       -0.734243000     13.210523000      5.486620000
H       -0.634602000     12.743529000      6.470218000
H       -1.783257000     13.469657000      5.304201000
H       -0.082926000     14.081869000      5.382913000
C        2.308108000     13.164174000      6.823626000
H        1.991418000     14.061527000      6.285885000
H        3.152724000     13.372639000      7.489934000
H        1.486792000     12.722363000      7.394312000
C        4.923649000     12.649684000      4.892401000
H        5.658095000     12.318948000      5.633423000
H        4.752166000     13.730912000      4.930170000
H        5.217051000     12.330371000      3.891784000
C        4.682121000     12.097132000      1.243040000
H        4.601895000     13.107313000      1.660058000
H        4.885898000     12.136340000      0.167209000
H        5.456061000     11.515857000      1.755088000
C        1.719948000     12.139391000     -0.045377000
H        0.811778000     11.573918000     -0.279087000
H        2.374175000     12.186622000     -0.922998000
H        1.479503000     13.146222000      0.314106000
Cl       2.010149000     13.531772000      3.383164000
71
[(o-dppp)2Cl2SbPdCl]
Sb       0.104533000      1.896593000      3.112024000
Pd       0.109372000      2.373288000      5.538797000
Cl       0.112013000      2.825465000      7.859846000
Cl      -0.747293000     -0.443380000      2.956771000
Cl       0.952942000      3.999598000      2.073176000
P        2.046325000      1.134315000      5.554132000
P       -1.827920000      3.527992000      5.091270000
C        2.054777000      1.055027000      2.726577000
C        2.780299000      0.809379000      3.898096000
C        4.084177000      0.294491000      3.792504000
H        4.671010000      0.117141000      4.694923000
C        4.629695000      0.024136000      2.539018000
H        5.643133000     -0.371853000      2.465029000
C        3.886139000      0.269307000      1.379009000
H        4.319936000      0.065465000      0.398950000
C        2.593840000      0.789588000      1.469477000
H        2.023586000      1.002797000      0.565336000
C        1.718209000     -0.504580000      6.257990000
C        1.712182000     -1.657894000      5.462485000
H        1.954692000     -1.593092000      4.402537000
C        1.368869000     -2.887265000      6.028714000
H        1.358477000     -3.782234000      5.405573000
C        1.031495000     -2.967947000      7.381264000
H        0.763768000     -3.930267000      7.819963000
C        1.022572000     -1.812687000      8.171179000
H        0.742786000     -1.870010000      9.223918000
C        1.354996000     -0.579562000      7.614259000
H        1.307775000      0.332429000      8.212712000
C        3.400402000      1.861326000      6.517344000
C        3.554238000      3.254694000      6.469503000
H        2.837712000      3.856540000      5.907797000
C        4.605138000      3.860358000      7.155730000
H        4.720430000      4.944186000      7.120820000
C        5.496477000      3.081960000      7.900889000
H        6.312244000      3.559197000      8.445650000
C        5.335861000      1.695302000      7.960485000
H        6.023619000      1.088621000      8.551128000
C        4.289041000      1.081605000      7.269640000
H        4.151195000      0.001173000      7.326773000
C       -1.849692000      2.527703000      2.445789000
C       -2.571502000      3.197210000      3.440761000
C       -3.878049000      3.630326000      3.155115000
H       -4.461945000      4.134722000      3.926421000
C       -4.429767000      3.404699000      1.895476000
H       -5.445236000      3.740614000      1.682589000
C       -3.689683000      2.740741000      0.910572000
H       -4.128079000      2.557379000     -0.071480000
C       -2.394869000      2.296466000      1.184548000
H       -1.827397000      1.758145000      0.425393000
C       -3.176536000      3.227278000      6.266189000
C       -3.332282000      1.920883000      6.752521000
H       -2.619636000      1.148396000      6.458420000
C       -4.379833000      1.625129000      7.622684000
H       -4.496675000      0.609816000      8.003052000
C       -5.265757000      2.631456000      8.020365000
H       -6.078973000      2.399973000      8.709638000
C       -5.102894000      3.936157000      7.547726000
H       -5.786272000      4.724170000      7.867056000
C       -4.059467000      4.237638000      6.670154000
H       -3.919663000      5.258268000      6.311785000
C       -1.495612000      5.310716000      5.113673000
C       -1.116550000      5.895190000      6.335080000
H       -1.060445000      5.279362000      7.234975000
C       -0.780558000      7.246696000      6.376875000
H       -0.488635000      7.699869000      7.325159000
C       -0.801447000      8.014371000      5.206835000
H       -0.530682000      9.070580000      5.243096000
C       -1.154602000      7.425974000      3.990805000
H       -1.153665000      8.016581000      3.073985000
C       -1.501726000      6.074432000      3.939151000
H       -1.756978000      5.611341000      2.986879000
37
[FeCp(CO)(PMe)3(SbMe2Cl2)]
P        8.128518730      6.893922584     -1.212045847
Sb       7.493393128      4.206027576      1.006224287
Cl       5.858578202      6.168887224      1.536759415
Cl       8.876481958      2.070769675      0.977006045
C        6.566247614      7.821072630     -1.426369316
H        5.876298343      7.507534498     -0.632087925
H        6.753354076      8.901614571     -1.350563380
H        6.126317127      7.600953007     -2.406963265
C        8.837392225      7.611435375      0.314203994
H        9.803556755      7.138468086      0.530873556
H        8.982278924      8.694134643      0.193729502
H        8.139764399      7.427855057      1.141330436
C        5.829212757      3.002055320      1.648096763
H        5.698929117      3.195294352      2.718634047
H        4.937417115      3.337613455      1.109401138
H        6.070930712      1.951173242      1.463560902
C        8.671749016      4.813931225      2.695923685
H        8.327527679      5.793704187      3.038289957
H        8.533201569      4.048669913      3.467336706
H        9.719877225      4.826777546      2.378917800
Fe       8.039492184      4.715613617     -1.379129387
C        6.735884238      3.102153443     -1.796549780
C        7.970668740      2.914666103     -2.475369357
C        6.150723528      4.336448439     -2.238279187
C        8.162053973      4.031741367     -3.356281746
C        7.038764978      4.899878338     -3.210006633
H        6.313982968      2.413755813     -1.070787051
H        8.659082707      2.092993116     -2.307823047
H        5.212219096      4.760756714     -1.897053569
H        9.010963167      4.190179016     -4.013959587
H        6.880375467      5.825403183     -3.755239777
C        9.217364817      7.617869603     -2.505215231
H       10.237072061      7.232196193     -2.377448369
H        8.862684293      7.329324254     -3.502731230
H        9.234177569      8.714699813     -2.433851278
C        9.736995242      4.660425749     -1.015086120
O       10.886200206      4.644495670     -0.823801153
