32
Ph2C(Cl)NH-WCl5
H       -4.312290000     -0.073527000      1.369317000
C       -4.027460000     -0.851925000      0.656813000
C       -3.306831000     -2.845367000     -1.150487000
C       -2.693437000     -0.965313000      0.246489000
C       -4.988169000     -1.730318000      0.168691000
C       -4.629968000     -2.732594000     -0.736357000
C       -2.338759000     -1.962847000     -0.664088000
H       -6.025645000     -1.633228000      0.498968000
H       -5.386008000     -3.424618000     -1.116624000
H       -1.308776000     -2.059621000     -1.019136000
H       -3.015267000     -3.622599000     -1.861412000
C       -1.661721000      0.050253000      0.742303000
C       -1.840906000      1.426906000      0.112371000
C       -2.083336000      3.932138000     -1.121557000
C       -1.351557000      2.578599000      0.741596000
C       -2.462562000      1.546149000     -1.135488000
C       -2.581565000      2.793052000     -1.748637000
C       -1.469556000      3.821102000      0.126868000
H       -0.872183000      2.503152000      1.719622000
H       -2.852763000      0.661291000     -1.642912000
H       -3.068546000      2.869484000     -2.724106000
H       -1.080304000      4.710426000      0.629103000
H       -2.178066000      4.909619000     -1.601985000
N       -0.313204000     -0.521533000      0.591944000
W        1.478701000     -0.218743000     -0.056654000
Cl       3.757812000     -0.054118000     -0.615478000
Cl       2.040086000     -1.921857000      1.441173000
Cl      -1.840397000      0.193362000      2.556415000
Cl       1.337968000     -1.819314000     -1.761918000
Cl       1.916178000      1.435530000      1.513663000
Cl       0.777662000      1.344850000     -1.531611000
H       -0.334898000     -1.395415000      1.128727000
57
[WCl5(NHCPh2NHCPh2)]Cl
H        1.016000000     -0.089000000      2.623000000
C        0.369000000     -0.897000000      2.311000000
C       -1.246000000     -3.006000000      1.490000000
C       -0.631000000     -0.669000000      1.369000000
C        0.554000000     -2.168000000      2.846000000
C       -0.252000000     -3.224000000      2.441000000
C       -1.431000000     -1.740000000      0.956000000
H        1.334000000     -2.328000000      3.582000000
H       -0.111000000     -4.213000000      2.864000000
H       -2.225000000     -1.571000000      0.238000000
H       -1.890000000     -3.819000000      1.175000000
C       -0.829000000      0.671000000      0.665000000
C       -0.077000000      1.885000000      1.222000000
C        1.183000000      4.164000000      2.249000000
C        0.501000000      2.824000000      0.363000000
C       -0.071000000      2.133000000      2.598000000
C        0.570000000      3.257000000      3.106000000
C        1.134000000      3.950000000      0.876000000
H        0.431000000      2.702000000     -0.711000000
H       -0.578000000      1.456000000      3.273000000
H        0.570000000      3.430000000      4.177000000
H        1.576000000      4.668000000      0.195000000
H        1.676000000      5.044000000      2.648000000
N       -2.258000000      1.086000000      0.630000000
W       -3.907000000      1.207000000      1.609000000
Cl      -5.889000000      1.261000000      2.914000000
Cl      -4.844000000      2.401000000     -0.098000000
Cl      -4.789000000     -0.791000000      0.675000000
Cl      -3.304000000      3.202000000      2.685000000
Cl      -2.909000000     -0.021000000      3.330000000
H       -2.367000000      1.702000000     -0.243000000
N       -0.500000000      0.456000000     -0.786000000
H       -1.111000000      1.052000000     -1.428000000
C        0.388000000     -0.304000000     -1.366000000
C        0.209000000     -0.575000000     -2.795000000
C       -0.116000000     -1.084000000     -5.519000000
C        1.325000000     -0.842000000     -3.607000000
C       -1.074000000     -0.571000000     -3.370000000
C       -1.230000000     -0.828000000     -4.723000000
C        1.160000000     -1.088000000     -4.960000000
H        2.317000000     -0.833000000     -3.173000000
H       -1.947000000     -0.383000000     -2.757000000
H       -2.224000000     -0.830000000     -5.154000000
H        2.027000000     -1.279000000     -5.582000000
H       -0.244000000     -1.284000000     -6.577000000
C        1.563000000     -0.878000000     -0.684000000
C        3.853000000     -1.964000000      0.473000000
C        2.475000000     -0.049000000     -0.020000000
C        1.817000000     -2.252000000     -0.780000000
C        2.945000000     -2.793000000     -0.180000000
C        3.623000000     -0.594000000      0.541000000
H        2.291000000      1.016000000      0.044000000
H        1.115000000     -2.891000000     -1.302000000
H        3.122000000     -3.861000000     -0.234000000
H        4.335000000      0.056000000      1.037000000
H        4.744000000     -2.387000000      0.925000000
Cl      -2.169000000      2.482000000     -2.077000000
55
WCl5(NCPh2NHCPh2)
H        2.293358000      2.982241000      1.508319000
C        1.496704000      2.727506000      2.213337000
C       -0.518081000      2.090093000      4.027971000
C        0.405627000      1.955014000      1.801755000
C        1.584549000      3.164634000      3.532009000
C        0.578659000      2.841048000      4.444614000
C       -0.610370000      1.648380000      2.706819000
H        2.444990000      3.759484000      3.848869000
H        0.650446000      3.179856000      5.481440000
H       -1.479054000      1.065001000      2.390818000
H       -1.312960000      1.839507000      4.734983000
C        0.317079000      1.501802000      0.344702000
C       -0.148452000      2.644440000     -0.585501000
C       -1.008650000      4.656437000     -2.330454000
C       -0.106352000      2.447766000     -1.972051000
C       -0.650436000      3.845460000     -0.079585000
C       -1.079347000      4.845814000     -0.952139000
C       -0.522623000      3.452813000     -2.839921000
H        0.227503000      1.491510000     -2.387782000
H       -0.708826000      4.012356000      0.997442000
H       -1.468092000      5.782565000     -0.544805000
H       -0.481176000      3.285742000     -3.919006000
H       -1.340510000      5.445153000     -3.010707000
N       -0.599896000      0.413885000      0.179564000
W       -1.673565000     -0.841930000     -0.319864000
Cl      -3.078515000     -2.675682000     -1.251075000
Cl      -1.001613000     -2.432918000      1.269131000
Cl      -3.463808000     -0.272086000      1.114492000
Cl      -0.038315000     -1.603727000     -1.894085000
Cl      -2.697726000      0.476446000     -1.987666000
H        2.011174000      1.733403000     -0.876790000
N        1.655050000      1.077370000     -0.181553000
C        2.384131000     -0.004018000     -0.041143000
C        3.500240000     -0.146865000     -0.999332000
C        5.622243000     -0.382995000     -2.790893000
C        4.745880000     -0.617039000     -0.554110000
C        3.321087000      0.189038000     -2.350788000
C        4.379660000      0.062455000     -3.243370000
C        5.805598000     -0.718608000     -1.448692000
H        4.886676000     -0.879221000      0.497317000
H        2.339720000      0.501169000     -2.718826000
H        4.230274000      0.302076000     -4.298521000
H        6.779530000     -1.066859000     -1.096911000
H        6.453898000     -0.477318000     -3.494003000
C        2.209644000     -1.053291000      0.972092000
C        2.112075000     -3.125821000      2.842338000
C        1.986413000     -0.769345000      2.328731000
C        2.398295000     -2.388606000      0.566035000
C        2.332939000     -3.417071000      1.495528000
C        1.946289000     -1.805502000      3.256178000
H        1.896692000      0.259390000      2.674446000
H        2.570560000     -2.616239000     -0.488346000
H        2.460394000     -4.451580000      1.168617000
H        1.791361000     -1.574810000      4.312723000
H        2.074563000     -3.935211000      3.576230000
55
WCl5(NHCPh2NCPh2)
H        2.607811000      3.047346000      0.351026000
C        2.047337000      2.976561000      1.286995000
C        0.621472000      2.798952000      3.672757000
C        0.915631000      2.155867000      1.356171000
C        2.471812000      3.683969000      2.407866000
C        1.763848000      3.591888000      3.608410000
C        0.194017000      2.088028000      2.549320000
H        3.364848000      4.311453000      2.344439000
H        2.100928000      4.143840000      4.489698000
H       -0.711881000      1.478934000      2.625869000
H        0.052317000      2.727280000      4.603223000
C        0.480762000      1.396196000      0.089197000
C       -0.270171000      2.410986000     -0.786464000
C       -1.656955000      4.299919000     -2.324826000
C        0.176464000      2.742681000     -2.065444000
C       -1.405882000      3.051652000     -0.272863000
C       -2.099583000      3.981867000     -1.038513000
C       -0.516440000      3.683293000     -2.831188000
H        1.069620000      2.255616000     -2.458340000
H       -1.766106000      2.813617000      0.732088000
H       -2.990659000      4.464202000     -0.628068000
H       -0.157794000      3.930604000     -3.834127000
H       -2.200554000      5.032925000     -2.927155000
N       -0.396344000      0.249587000      0.490401000
W       -1.816980000     -0.861470000     -0.155944000
Cl      -3.462871000     -2.517496000     -0.516010000
Cl      -1.315492000     -2.057904000      1.807457000
Cl      -3.512292000      0.336859000      0.921447000
Cl      -0.436345000     -2.212202000     -1.469796000
Cl      -2.186556000      0.389556000     -2.000478000
H       -0.005094000     -0.117133000      1.364167000
N        1.624341000      0.875047000     -0.635072000
C        2.377675000     -0.101848000     -0.301637000
C        3.463384000     -0.461636000     -1.271484000
C        5.492230000     -1.081009000     -3.100727000
C        4.665917000     -1.029442000     -0.831027000
C        3.285233000     -0.215048000     -2.639550000
C        4.290812000     -0.528342000     -3.549118000
C        5.678988000     -1.327391000     -1.741241000
H        4.817632000     -1.229984000      0.233039000
H        2.338546000      0.210778000     -2.980646000
H        4.135830000     -0.344916000     -4.615682000
H        6.618024000     -1.759057000     -1.384821000
H        6.282730000     -1.325989000     -3.815432000
C        2.312790000     -0.959073000      0.936112000
C        2.244897000     -2.637699000      3.182862000
C        2.509144000     -0.433866000      2.220573000
C        2.129416000     -2.342048000      0.789078000
C        2.080623000     -3.172556000      1.904709000
C        2.470804000     -1.271839000      3.336405000
H        2.717781000      0.628619000      2.356467000
H        2.016032000     -2.768606000     -0.210799000
H        1.918101000     -4.245478000      1.773611000
H        2.627378000     -0.847690000      4.331709000
H        2.210172000     -3.290224000      4.059452000
55
[Ph2C=N=CPh2][WCl5NH]
H       -4.935640000     -1.189361000      0.334336000
C       -5.380540000     -0.366648000     -0.233009000
C       -6.520423000      1.739807000     -1.669648000
C       -4.641077000      0.799773000     -0.475652000
C       -6.688001000     -0.468898000     -0.694999000
C       -7.256826000      0.582945000     -1.415525000
C       -5.216011000      1.855811000     -1.195975000
H       -7.265985000     -1.373761000     -0.492649000
H       -8.282686000      0.498469000     -1.783785000
H       -4.638154000      2.759446000     -1.404599000
H       -6.963074000      2.559062000     -2.241240000
C       -3.232585000      0.885818000     -0.009396000
C       -2.619199000      2.160633000      0.425362000
C       -1.429752000      4.513764000      1.322051000
C       -1.239572000      2.354356000      0.263986000
C       -3.401168000      3.148900000      1.042311000
C       -2.801374000      4.320692000      1.493317000
C       -0.649312000      3.533363000      0.707145000
H       -0.627698000      1.589244000     -0.224365000
H       -4.472152000      2.992536000      1.191865000
H       -3.408003000      5.085364000      1.984589000
H        0.428360000      3.666617000      0.578910000
H       -0.963208000      5.437486000      1.675036000
N        3.121998000     -1.595892000     -0.527382000
W        2.961950000      0.038571000     -0.070855000
Cl       2.805805000      2.475091000      0.625065000
Cl       4.357720000     -0.173338000      1.821042000
Cl       4.771493000      0.764402000     -1.395273000
Cl       1.063858000     -0.303706000      1.339242000
Cl       1.452669000      0.626725000     -1.804137000
H        3.267694000     -2.570763000     -0.788994000
N       -2.539541000     -0.176395000      0.010303000
C       -1.963276000     -1.306861000      0.016271000
C       -2.056946000     -2.131351000      1.248467000
C       -2.335827000     -3.650076000      3.568597000
C       -2.220487000     -3.520095000      1.159722000
C       -2.039402000     -1.505534000      2.502706000
C       -2.169767000     -2.266726000      3.658963000
C       -2.366946000     -4.273844000      2.321794000
H       -2.255929000     -4.010129000      0.183677000
H       -1.896150000     -0.423338000      2.569583000
H       -2.138801000     -1.778947000      4.636126000
H       -2.506785000     -5.355171000      2.250660000
H       -2.441877000     -4.245886000      4.479003000
C       -1.251077000     -1.767686000     -1.196221000
C        0.091259000     -2.595984000     -3.493393000
C       -1.629672000     -1.268957000     -2.451040000
C       -0.189915000     -2.677637000     -1.096356000
C        0.476148000     -3.089092000     -2.246853000
C       -0.961989000     -1.685797000     -3.595872000
H       -2.459469000     -0.560943000     -2.530672000
H        0.131073000     -3.040516000     -0.116992000
H        1.300566000     -3.802804000     -2.172278000
H       -1.264037000     -1.300692000     -4.572672000
H        0.616620000     -2.924207000     -4.394207000
6
[WCl4N]-
N        0.000004000      0.000454000      1.756659000
W        0.000307000     -0.000252000      0.113287000
Cl      -2.349185000     -0.163432000     -0.293855000
Cl      -0.161661000      2.341105000     -0.314230000
Cl       0.163201000     -2.336985000     -0.314307000
Cl       2.346307000      0.160222000     -0.294070000
7
[WCl4N]2-
N       -0.000107000      0.000049000     -1.968715000
W       -0.000021000      0.000010000     -0.310771000
Cl      -1.344610000      1.984032000     -0.072579000
Cl      -1.984053000     -1.344572000     -0.072631000
Cl       1.984013000      1.344611000     -0.072784000
Cl       1.344573000     -1.984034000     -0.072835000
Cl       0.000214000     -0.000100000      2.454242000
7
WCl4(NCl)
W       -0.232768000      0.002098000     -0.000021000
Cl      -0.685002000     -0.136731000     -2.276078000
Cl      -0.675365000      0.134362000      2.283406000
Cl       3.078596000     -0.015146000     -0.004440000
Cl      -0.666151000     -2.281082000      0.134115000
Cl      -0.640253000      2.293209000     -0.136124000
N        1.460543000     -0.009101000     -0.001915000
14
W(VI)Cl5-(N2)-W(VI)Cl5
W       -2.593277000      0.000051000      0.003990000
N       -0.567886000      0.000268000      0.064038000
N        0.567877000      0.000128000      0.064086000
W        2.593282000      0.000023000      0.004007000
Cl       2.737620000     -2.320939000     -0.001800000
Cl       2.064370000      0.001170000     -2.220319000
Cl       2.219630000     -0.001230000      2.256258000
Cl       2.737697000      2.320972000      0.000541000
Cl       4.873777000      0.000077000     -0.078458000
Cl      -2.064346000      0.000598000     -2.220343000
Cl      -2.738302000      2.320957000     -0.000146000
Cl      -2.219673000     -0.000470000      2.256255000
Cl      -4.873761000     -0.000638000     -0.078430000
Cl      -2.737029000     -2.320977000     -0.001125000
14
W(V)Cl5-(N2)-W(V)Cl5
W        3.404014000     -0.000241000     -0.000512000
N        0.590568000     -0.001827000      0.000562000
N       -0.503824000     -0.002445000      0.000980000
W       -3.423274000     -0.001767000      0.001517000
Cl      -2.691434000      0.274164000     -2.128237000
Cl      -3.352601000     -2.314033000     -0.296345000
Cl      -3.362399000      2.311741000      0.288944000
Cl      -2.692386000     -0.266213000      2.129545000
Cl      -5.659498000      0.002616000     -0.000220000
Cl       2.684794000     -0.392524000     -2.110302000
Cl       3.380280000     -2.290573000      0.412563000
Cl       2.696126000      0.405782000      2.111834000
Cl       5.638485000     -0.015746000     -0.001681000
Cl       3.406749000      2.295284000     -0.411110000
32
WCl5(k2-C,N-PhC=NtBu)
C       -1.074169000      0.223035000      0.072103000
N       -0.399016000      1.264588000      0.086442000
C       -0.626854000      2.736573000      0.187052000
C       -0.187287000      3.356723000     -1.140283000
H        0.883851000      3.196524000     -1.319516000
H       -0.380360000      4.438766000     -1.100198000
H       -0.758700000      2.935950000     -1.981417000
C        0.203642000      3.251347000      1.363759000
H        1.276756000      3.090406000      1.200394000
H       -0.095003000      2.757988000      2.300837000
H        0.022442000      4.330632000      1.470545000
C       -2.112830000      2.980084000      0.441861000
H       -2.455513000      2.468576000      1.354202000
H       -2.735422000      2.655502000     -0.403708000
H       -2.266679000      4.060039000      0.579355000
C       -2.455136000     -0.241406000      0.034352000
C       -5.078424000     -1.148404000     -0.070777000
C       -3.248806000      0.062289000     -1.080278000
C       -2.960815000     -1.017454000      1.084674000
C       -4.281967000     -1.452001000      1.033970000
C       -4.560282000     -0.400755000     -1.128809000
H       -2.837055000      0.641275000     -1.911406000
H       -2.325135000     -1.267162000      1.937126000
H       -4.688066000     -2.042146000      1.858942000
H       -5.181374000     -0.172585000     -1.998328000
H       -6.111390000     -1.503845000     -0.110786000
W        0.947734000     -0.346749000     -0.019775000
Cl       1.097172000     -0.197338000      2.279966000
Cl       2.582243000      1.356606000     -0.309316000
Cl       2.831085000     -1.750811000     -0.205906000
Cl      -0.111740000     -2.485798000      0.208483000
Cl       0.578299000     -0.386351000     -2.314612000
32
[PhC=NtBu][WCl5]
C       -2.767286000      0.308924000      0.146265000
N       -2.635339000      1.449455000      0.153544000
C       -2.471245000      2.902114000      0.102814000
C       -1.607227000      3.299970000      1.299851000
H       -2.076001000      2.991564000      2.245709000
H       -1.508283000      4.394939000      1.300836000
H       -0.603682000      2.856276000      1.224193000
C       -3.874457000      3.504986000      0.182957000
H       -4.370370000      3.234810000      1.126321000
H       -4.496534000      3.171567000     -0.660470000
H       -3.783807000      4.599321000      0.136096000
C       -1.784174000      3.229510000     -1.223908000
H       -2.390008000      2.889160000     -2.076482000
H       -0.785780000      2.770919000     -1.272518000
H       -1.670845000      4.321177000     -1.291392000
C       -2.951706000     -1.104631000      0.097738000
C       -3.260465000     -3.841297000     -0.083455000
C       -3.881351000     -1.629113000     -0.816923000
C       -2.175268000     -1.934560000      0.920599000
C       -2.338866000     -3.310497000      0.819947000
C       -4.030167000     -3.006651000     -0.898431000
H       -4.467549000     -0.962641000     -1.453484000
H       -1.441221000     -1.503759000      1.605574000
H       -1.730657000     -3.970691000      1.441605000
H       -4.744354000     -3.433555000     -1.605863000
H       -3.378879000     -4.925263000     -0.159998000
W        1.574021000     -0.119764000     -0.036929000
Cl       0.579471000      0.336334000      2.014579000
Cl       1.788191000      2.269913000     -0.410179000
Cl       3.852340000     -0.419290000     -0.431594000
Cl       1.302534000     -2.488021000      0.349414000
Cl      -0.094828000     -0.183053000     -1.650860000
