41
[Ni(PMe2Ph)2]
 Ni -0.00000100 0.00008500 0.24633300
 P -1.85579500 -1.09168500 0.27225100
 P 1.85585300 1.09175700 0.27223400
 C -1.98989400 -2.52101600 -0.90910000
 H -2.94073000 -3.05255900 -0.81600100
 H -1.88473900 -2.15145200 -1.93023300
 H -1.17162600 -3.21654700 -0.71005000
 C -2.28983600 -1.93119000 1.87309000
 H -1.47412900 -2.60450400 2.14498900
 H -2.38729500 -1.17813700 2.65652100
 H -3.21886800 -2.50383800 1.80730300
 C 2.29001300 1.93124700 1.87305600
 H 2.38762900 1.17822100 2.65649400
 H 3.21898700 2.50397900 1.80715200
 H 1.47426800 2.60448600 2.14503500
 C 1.98998600 2.52116900 -0.90902700
 H 1.88466400 2.15175600 -1.93019400
 H 1.17184500 3.21679100 -0.70977300
 H 2.94090200 3.05257800 -0.81596300
 C -3.41070000 -0.14693700 -0.09846000
 C -3.30855800 1.21446400 -0.40664100
 C -4.68183800 -0.73694900 -0.08531700
 C -4.44600100 1.96875400 -0.69497500
 H -2.32616200 1.67538400 -0.41724500
 C -5.81947700 0.01409800 -0.37188100
 H -4.79520300 -1.79013900 0.14944200
 C -5.70361600 1.37029300 -0.67779900
 H -4.34824400 3.02250100 -0.93235500
 H -6.79586200 -0.45811600 -0.35684300
 H -6.58937700 1.95472500 -0.90113400
 C 3.41067900 0.14692200 -0.09853500
 C 3.30843600 -1.21451100 -0.40658700
 C 4.68185400 0.73683700 -0.08547300
 C 4.44581700 -1.96890300 -0.69486300
 H 2.32600100 -1.67535000 -0.41714200
 C 5.81944200 -0.01431700 -0.37199000
 H 4.79530100 1.79004600 0.14916400
 C 5.70348200 -1.37052900 -0.67776000
 H 4.34798900 -3.02266700 -0.93214000
 H 6.79585500 0.45784300 -0.35701900
 H 6.58919300 -1.95505400 -0.90104900

41
[Pd(PMe2Ph)2]
 Pd -0.00000100 -0.00001200 0.24421200
 P 2.04038600 1.12120200 0.26108100
 P -2.04039700 -1.12121000 0.26109700
 C 2.19598200 2.54683900 -0.91510500
 H 3.16187800 3.05311600 -0.83611200
 H 2.06447100 2.18270800 -1.93508100
 H 1.39892600 3.26250600 -0.70237000
 C 2.50809800 1.93416700 1.86113900
 H 1.71363000 2.62845700 2.14277900
 H 2.58586100 1.17248900 2.63835700
 H 3.45361300 2.47950400 1.79572100
 C -2.50815100 -1.93421100 1.86112400
 H -2.58591900 -1.17255700 2.63836400
 H -3.45367200 -2.47953300 1.79567000
 H -1.71369900 -2.62852200 2.14275800
 C -2.19597000 -2.54682200 -0.91512600
 H -2.06443900 -2.18266800 -1.93509000
 H -1.39891700 -3.26249100 -0.70238900
 H -3.16186700 -3.05310200 -0.83616100
 C 3.55540300 0.12907200 -0.12975700
 C 3.40757700 -1.23003200 -0.42743700
 C 4.84280100 0.68288000 -0.14065700
 C 4.51819200 -2.01858500 -0.72869200
 H 2.41100800 -1.65987700 -0.41969100
 C 5.95314000 -0.10272600 -0.43989000
 H 4.99041800 1.73395200 0.08427200
 C 5.79263200 -1.45694600 -0.73482700
 H 4.38599000 -3.07034700 -0.95784700
 H 6.94296100 0.34077000 -0.44355100
 H 6.65737000 -2.06834500 -0.96812900
 C -3.55540000 -0.12906300 -0.12975200
 C -3.40756000 1.23004700 -0.42739800
 C -4.84280100 -0.68286300 -0.14068900
 C -4.51816400 2.01861200 -0.72866000
 H -2.41098800 1.65988400 -0.41962500
 C -5.95313000 0.10275600 -0.43992800
 H -4.99042900 -1.73393900 0.08421400
 C -5.79260700 1.45698100 -0.73483400
 H -4.38595100 3.07037800 -0.95779100
 H -6.94295300 -0.34073500 -0.44361900
 H -6.65733700 2.06839000 -0.96814100

41
[Pt(PMe2Ph)2]
 Pt 0.00000100 -0.00000800 0.21451000
 P 1.99379400 1.11928400 0.23165800
 P -1.99379700 -1.11928800 0.23163900
 C 2.10887400 2.54449000 -0.94202900
 H 3.06630400 3.06646800 -0.86829800
 H 1.97566700 2.17540600 -1.95966200
 H 1.29926300 3.24265500 -0.72055700
 C 2.43676100 1.91617600 1.84127100
 H 1.63037200 2.59531300 2.12444000
 H 2.51954300 1.14389300 2.60699500
 H 3.37570600 2.47291500 1.78462800
 C -2.43675100 -1.91617000 1.84126200
 H -2.51950000 -1.14388300 2.60698600
 H -3.37570800 -2.47289100 1.78464000
 H -1.63036900 -2.59532100 2.12441400
 C -2.10890800 -2.54449500 -0.94204200
 H -1.97570700 -2.17541800 -1.95967900
 H -1.29930800 -3.24267600 -0.72057800
 H -3.06634600 -3.06645700 -0.86830000
 C 3.50647900 0.13464600 -0.16949800
 C 3.36724200 -1.22503100 -0.46899400
 C 4.78814300 0.70116400 -0.18464300
 C 4.48416800 -2.00185600 -0.77622100
 H 2.37366300 -1.66076000 -0.45657200
 C 5.90413300 -0.07402100 -0.49031400
 H 4.92717300 1.75303700 0.04200800
 C 5.75371500 -1.42884500 -0.78692100
 H 4.36079400 -3.05435500 -1.00685000
 H 6.88989000 0.37823300 -0.49744200
 H 6.62269900 -2.03226700 -1.02518000
 C -3.50647800 -0.13463800 -0.16950600
 C -3.36723300 1.22503600 -0.46900900
 C -4.78814800 -0.70114300 -0.18462300
 C -4.48415500 2.00186800 -0.77623600
 H -2.37365000 1.66075600 -0.45660400
 C -5.90413500 0.07405000 -0.49028600
 H -4.92718600 -1.75301100 0.04204300
 C -5.75370700 1.42886900 -0.78691200
 H -4.36077400 3.05436300 -1.00687800
 H -6.88989700 -0.37819400 -0.49739500
 H -6.62268900 2.03229800 -1.02516600

47
[Ni(C2H4)(PMe2Ph)2]
 Ni -0.00381700 0.09956900 -0.90638200
 P 1.54122100 1.05607300 0.33580100
 P -1.50959700 -1.05851900 0.20548200
 C 0.54069300 0.65350700 -2.73853600
 H 0.44981000 1.72784600 -2.88661700
 H 1.50908700 0.25046100 -3.02691000
 C -0.61139300 -0.16278200 -2.78253200
 H -0.52909400 -1.20128300 -3.09716800
 H -1.58779600 0.27796300 -2.97141800
 C -1.91663200 -2.71072800 -0.53795500
 H -2.67321300 -3.25550100 0.03203500
 H -2.26878600 -2.56513100 -1.55979100
 H -1.00355400 -3.30991400 -0.57279800
 C -1.23380700 -1.57263000 1.97335000
 H -2.04240800 -2.19942700 2.35836900
 H -0.29549500 -2.12967200 2.03437900
 H -1.14803600 -0.68362900 2.60000000
 C 1.26625700 1.35117000 2.15240000
 H 1.15072700 0.39350200 2.66182000
 H 2.08604100 1.90376000 2.61860600
 H 0.34194200 1.92098800 2.27556600
 C 2.02879100 2.77070000 -0.18580800
 H 1.14635800 3.41370800 -0.14194000
 H 2.80916200 3.19755300 0.44936200
 H 2.37913800 2.74218500 -1.21823300
 C 3.17729600 0.17952500 0.35172200
 C 4.30135600 0.67359900 1.02729800
 C 3.29349600 -1.03097800 -0.34117700
 C 5.50760200 -0.02293400 1.00901800
 H 4.24517200 1.60903600 1.57374100
 C 4.49977100 -1.73126400 -0.36071800
 H 2.42953000 -1.41755000 -0.87158200
 C 5.60942600 -1.22828200 0.31414200
 H 6.36823200 0.37475800 1.53592500
 H 4.57163600 -2.66664400 -0.90491500
 H 6.54890700 -1.76963500 0.29930800
 C -3.17996800 -0.25663400 0.32602200
 C -4.29687300 -0.89973100 0.87646100
 C -3.32792800 1.05358900 -0.14333600
 C -5.52681800 -0.25054600 0.95523500
 H -4.21674500 -1.91571200 1.24818600
 C -4.55757400 1.70728000 -0.06358600
 H -2.47032700 1.55608400 -0.57799500
 C -5.65957000 1.05632300 0.48566100
 H -6.38161100 -0.76397500 1.38205200
 H -4.65374600 2.72235200 -0.43322800
 H -6.61714600 1.56153600 0.54673800

47
[Pd(C2H4)(PMe2Ph)2]
Pd -0.00517100 1.17682700 -0.15935300
 P -1.57506400 -0.33650200 -1.13967500
 P 1.60838200 0.05284800 1.20081500
 C 0.52535100 3.31931000 -0.04712500
 H 0.41783100 3.65234600 0.98033200
 H 1.51259900 3.45801200 -0.47613200
 C -0.59299600 3.18652400 -0.86996400
 H -0.48833300 3.21933500 -1.94979300
 H -1.58531900 3.41632100 -0.49531900
 C -3.09772500 -0.67455500 -0.13578700
 C -3.24442500 -0.01712400 1.09088400
 C -4.10655700 -1.55539700 -0.54871800
 C -4.36913500 -0.23325200 1.88740700
 H -2.46618400 0.66758000 1.41288700
 C -5.22994900 -1.77409300 0.24515300
 H -4.02385500 -2.07983400 -1.49483600
 C -5.36356200 -1.11284100 1.46645000
 H -4.46731500 0.28616500 2.83444000
 H -6.00140100 -2.45972900 -0.08849700
 H -6.23856300 -1.28337500 2.08389100
 C 3.09609600 -0.60030300 0.30614900
 C 3.19739500 -0.36811000 -1.07025500
 C 4.12550600 -1.30572200 0.94409600
 C 4.29834700 -0.82747800 -1.79341800
 H 2.40299200 0.17955700 -1.56742100
 C 5.22498400 -1.76735500 0.22411400
 H 4.07859100 -1.50073900 2.01040300
 C 5.31385200 -1.52855600 -1.14764600
 H 4.36194100 -0.63607200 -2.85909000
 H 6.01319000 -2.31181600 0.73286000
 H 6.17076900 -1.88698500 -1.70726900
 C -2.30362900 0.18014500 -2.76759100
 H -3.02124900 -0.54538000 -3.16008000
 H -2.79745500 1.14510300 -2.64494900
 H -1.49175500 0.30306000 -3.48847000
 C -1.01853700 -2.05567900 -1.57322100
 H -0.14610400 -1.98396400 -2.22680900
 H -0.71894900 -2.57763500 -0.66298300
 H -1.79229500 -2.63882700 -2.07978900
 C 1.07315900 -1.42624400 2.18981600
 H 0.22260900 -1.13691800 2.81135300
 H 0.74553900 -2.21531100 1.51116700
 H 1.86512700 -1.81696000 2.83434000
 C 2.39764000 1.06342200 2.54424800
 H 3.13039600 0.49633100 3.12472300
 H 2.88615700 1.92970200 2.09581600
 H 1.61422700 1.42464600 3.21483200

47
[Pt(C2H4)(PMe2Ph)2]
 Pt -0.09600300 1.06239000 -0.17597900
 P -1.21265100 -0.98381600 -0.49517700
 P 1.85285000 0.58011600 1.03320500
 C -0.06164600 3.17225800 -0.56437800
 H -0.11734700 3.76702800 0.34354000
 H 0.74595700 3.46280000 -1.23088500
 C -1.25967900 2.61516300 -1.11247800
 H -1.34869100 2.49661400 -2.18928700
 H -2.20468500 2.79523900 -0.60702600
 C -1.36471500 -1.45147800 -2.28349200
 H -1.90539200 -2.39327300 -2.40817200
 H -1.88708600 -0.65911900 -2.82008300
 H -0.36283600 -1.54641800 -2.70752700
 C -0.48978800 -2.54604500 0.18666900
 H -1.04047300 -3.43647100 -0.12853400
 H 0.53857100 -2.61802800 -0.17282900
 H -0.46344200 -2.50571900 1.27704200
 C 1.62828200 -0.10283000 2.73986000
 H 1.20556900 -1.10660700 2.68444500
 H 2.55960800 -0.13382800 3.31068300
 H 0.91707100 0.53873600 3.26359600
 C 2.95021400 2.02981400 1.39337300
 H 3.84131900 1.73909700 1.95651400
 H 3.25187300 2.48957000 0.45135700
 H 2.37990800 2.76586700 1.96429100
 C 3.05209700 -0.59202800 0.24479700
 C 2.99364300 -0.75021100 -1.14582300
 C 4.02076200 -1.30727400 0.96076600
 C 3.88486800 -1.59461800 -1.80612000
 H 2.23488100 -0.20805900 -1.70131200
 C 4.90482100 -2.16144600 0.30312100
 H 4.09342100 -1.20761500 2.03802200
 C 4.84042900 -2.30554000 -1.08212600
 H 3.82889100 -1.70154000 -2.88398800
 H 5.64486300 -2.71292700 0.87291000
 H 5.52973300 -2.96882400 -1.59274300
 C -2.97859200 -1.06633400 0.05463500
 C -3.85164500 -0.05845800 -0.38024100
 C -3.48262800 -2.06937100 0.89121700
 C -5.19214000 -0.06528800 -0.00710500
 H -3.47081700 0.74491000 -1.00023400
 C -4.82376900 -2.06786100 1.27797800
 H -2.83782400 -2.86149200 1.25148800
 C -5.68328500 -1.07012600 0.82695200
 H -5.85168700 0.72096600 -0.35785400
 H -5.19405000 -2.85104300 1.93071600
 H -6.72543600 -1.07077300 1.12620000

81
[Ni(PMe2ArPh2)2]
 Ni                 0.09150300   -0.25822200    0.34871100
 P                 -1.52697000    0.13160300   -1.11181500
 P                  2.06627800   -0.73318000   -0.49230800
 C                 -4.10895000    1.34110900   -0.47130300
 C                 -3.36180800    0.14789700   -0.65350700
 C                 -3.52735100    2.71701400   -0.39576500
 C                 -4.04573300   -1.09065000   -0.50481600
 C                 -2.64289300    3.06089000    0.63347500
 H                 -2.33635300    2.30200300    1.34177100
 C                 -5.49751800    1.27862100   -0.28166900
 H                 -6.04369500    2.20580700   -0.15042500
 C                 -5.43294800   -1.10826300   -0.30901100
 H                 -5.92847000   -2.06600400   -0.19857600
 C                 -6.16623000    0.06583900   -0.22237800
 H                 -7.23931500    0.03543900   -0.07080200
 C                 -3.44594700    5.01762000   -1.17386000
 H                 -3.76214000    5.77531000   -1.88248500
 C                 -2.55396300    5.34425000   -0.15304800
 H                 -2.17570000    6.35620400   -0.06165900
 C                 -3.93367900    3.71776400   -1.28825100
 H                 -4.62431600    3.46938000   -2.08690600
 C                 -2.15902400    4.36200300    0.75386500
 H                 -1.47663400    4.60907700    1.55974600
 C                 -3.80682600   -3.43511400   -1.38156600
 H                 -4.58163600   -3.21274300   -2.10729500
 C                 -3.37951300   -2.42954700   -0.50192800
 C                 -2.37819100   -2.73582000    0.42833100
 C                 -3.23280500   -4.70355900   -1.35054000
 H                 -3.56993700   -5.46452800   -2.04595600
 C                 -1.80484300   -4.00617100    0.46015800
 C                 -2.22546400   -4.99255500   -0.43002900
 H                 -1.77801100   -5.98002700   -0.40328600
 C                 -1.25034600    1.68075000   -2.10361500
 H                 -0.32859400    1.50621000   -2.66305600
 H                 -1.10633000    2.55458400   -1.47495100
 H                 -2.06119800    1.86883300   -2.81024700
 C                 -1.52954600   -1.02692900   -2.57345600
 H                 -2.37652000   -0.83671300   -3.23769900
 H                 -1.53971300   -2.06783400   -2.26388500
 H                 -0.60198400   -0.83937300   -3.11852500
 C                  3.12982400    0.13908600    0.77455500
 C                  2.39157100    0.37609900    1.95576700
 C                  5.33936500    0.41800100   -0.50997400
 C                  2.93909300    1.14959000    2.98210600
 H                  2.36284600    1.31287700    3.88606200
 C                  4.43536400    0.66384200    0.65508900
 C                 -1.26964100   -1.12305100    3.62632400
 H                 -2.11835600   -1.45436100    4.21353100
 C                  4.94324300    1.46505000    1.68855100
 H                  5.93971900    1.88063700    1.58538400
 C                  5.91718500   -0.84017100   -0.71971600
 H                  5.68915200   -1.64919000   -0.03553800
 C                  1.02399600   -0.24241900    2.13797100
 C                 -0.11710700   -1.94675400    3.51219300
 H                 -0.09458200   -2.90945000    4.01275500
 C                 -1.28328500    0.10383800    3.00825700
 H                 -2.14383400    0.75510500    3.12795000
 C                 -0.18113200    0.55771500    2.22368200
 C                  5.69010700    1.46474200   -1.37268900
 H                  5.25955300    2.44779100   -1.21611300
 C                  4.20352800    1.71197500    2.83939300
 H                  4.61907000    2.33059700    3.62757600
 C                  0.98633700   -1.51935300    2.81715100
 H                  1.88322000   -2.13118500    2.80848900
 C                  6.79865600   -1.05430200   -1.77821700
 H                  7.23943800   -2.03482200   -1.92137200
 C                  6.56838200    1.25207200   -2.43332200
 H                  6.81986100    2.07250200   -3.09651200
 C                  7.12256700   -0.00991200   -2.64261300
 H                  7.80686900   -0.17573000   -3.46702000
 C                  2.61059400   -0.14169200   -2.16266000
 H                  3.63863200   -0.40461600   -2.41037700
 H                  2.49222900    0.94156900   -2.22112200
 H                  1.94098100   -0.59747500   -2.89701100
 C                  2.65328000   -2.49483400   -0.53582600
 H                  2.05236900   -3.03491800   -1.27168300
 H                  2.48644100   -2.95299100    0.43984800
 H                  3.70689100   -2.57833000   -0.80617900
 H                 -2.05780200   -1.98645100    1.14221900
 H                 -0.12062500    1.61932600    1.99774400
 H                 -1.03332300   -4.22068200    1.19088300

81
[Ni(PMe2ArPh2)2] isomer with only one coordinated ring
 Ni                -0.23796400   -0.47197600   -1.37438400
 P                  1.40650200    0.68080700   -0.42167500
 P                 -2.32127000   -0.68342800   -0.67056100
 C                  1.66002000    2.26482200   -1.36431400
 H                  2.42923900    2.89535700   -0.92027200
 H                  1.92607800    2.04067200   -2.39826300
 H                  0.71509400    2.81188100   -1.36738000
 C                  1.30226100    1.33312700    1.31412100
 H                  0.29026800    1.72581700    1.43941800
 H                  1.43274100    0.51718600    2.02710400
 H                  2.01947300    2.12058600    1.53831400
 C                 -3.61358400   -0.18070600   -1.91511100
 H                 -3.42692300    0.80419300   -2.33225700
 H                 -3.54157000   -0.91312400   -2.72193700
 H                 -4.62102800   -0.21466100   -1.49417400
 C                 -2.91465000   -2.44043800   -0.49748900
 H                 -2.95679000   -2.84439600   -1.51012200
 H                 -2.22917300   -3.05364400    0.07856200
 H                 -3.91123900   -2.48437400   -0.05198900
 C                  3.05877800   -0.22388800   -0.54363600
 C                  3.07121700   -1.45378100   -1.27289600
 C                  4.24740700    0.15989800    0.13229500
 C                  4.23262400   -2.24285800   -1.29070200
 C                  5.37488200   -0.67070400    0.10435600
 C                  5.37201900   -1.86752700   -0.60102300
 H                  4.23024100   -3.15311300   -1.87808400
 H                  6.27040000   -0.34828800    0.62355900
 H                  6.26105000   -2.48805200   -0.62900200
 C                 -2.89697200    0.12198500    0.94151100
 C                 -2.76791700   -0.55793400    2.18516500
 C                 -3.47268800    1.42192500    0.95723000
 C                 -3.29409000    0.01183100    3.35385800
 C                 -3.98922300    1.95081300    2.14898000
 C                 -3.92101000    1.24796400    3.34162600
 H                 -3.17891500   -0.52554800    4.28802900
 H                 -4.42284500    2.94409200    2.12958500
 H                 -4.31957100    1.67307800    4.25585000
 C                  4.45349200    1.44073000    0.88620100
 C                  4.53452400    1.43564900    2.28496700
 C                  4.70915600    2.63963200    0.21052100
 C                  4.82138700    2.60285300    2.98946200
 H                  4.36127900    0.50989400    2.82258300
 C                  4.99775000    3.80927300    0.91299300
 H                  4.70447700    2.64951800   -0.87315400
 C                  5.04753600    3.79658300    2.30554900
 H                  4.86932200    2.57933200    4.07259900
 H                  5.19510100    4.72730500    0.37029700
 H                  5.27189400    4.70553400    2.85224200
 C                  1.89147500   -1.95538600   -2.01432800
 C                  1.07733400   -1.01529100   -2.74679300
 C                  1.51776200   -3.28503600   -1.96167200
 C                 -0.18398400   -1.46022900   -3.25931800
 H                  1.56355200   -0.13922900   -3.16953700
 C                  0.35223600   -3.75069100   -2.62545100
 H                  2.10542400   -3.98346600   -1.37548400
 C                 -0.48482000   -2.85641800   -3.24791800
 H                 -0.72418900   -0.82630800   -3.95548400
 H                  0.11352600   -4.80811200   -2.60775900
 H                 -1.38219500   -3.20788800   -3.74812600
 C                 -2.06176000   -1.86133200    2.38691000
 C                 -0.72190200   -2.03125800    2.01795500
 C                 -2.71198800   -2.92144400    3.03531700
 C                 -0.05621600   -3.22766400    2.27472300
 H                 -0.20521800   -1.23016400    1.50488100
 C                 -2.04871500   -4.11897700    3.29139000
 H                 -3.75178300   -2.81133800    3.32337400
 C                 -0.71632800   -4.27679800    2.91185700
 H                  0.97865600   -3.33872800    1.97096300
 H                 -2.57430600   -4.93020500    3.78322300
 H                 -0.19895600   -5.20899100    3.10923500
 C                 -3.54273400    2.34438600   -0.21820400
 C                 -4.77240900    2.87218200   -0.63530700
 C                 -2.38028500    2.77551500   -0.86805200
 C                 -4.84012600    3.78509400   -1.68507600
 H                 -5.68343200    2.54948300   -0.14325000
 C                 -2.44491400    3.69231200   -1.91505000
 H                 -1.42303500    2.37734200   -0.55582500
 C                 -3.67551300    4.19827100   -2.33076200
 H                 -5.80300300    4.17183500   -2.00037200
 H                 -1.53290100    4.01334400   -2.40641700
 H                 -3.72641600    4.90891800   -3.14795700

81
[Ni(PMe2ArPh2)2] lineal isomer
 Ni                 0.00000000    0.00000000    0.00000000
 P                  1.10307500    1.85576500    0.00000000
 P                 -1.10307500   -1.85576500    0.00000000
 C                  2.32780300    2.10790000    1.38241600
 H                  2.74653100    3.11753000    1.37002500
 H                  1.89150200    1.90797500    2.35643500
 H                  3.13216100    1.38883200    1.21085700
 C                  2.32780300    2.10790000   -1.38241600
 H                  2.74653100    3.11753000   -1.37002500
 H                  3.13216100    1.38883200   -1.21085700
 H                  1.89150200    1.90797500   -2.35643500
 C                 -2.32780300   -2.10790000    1.38241600
 H                 -2.74653100   -3.11753000    1.37002500
 H                 -1.89150200   -1.90797500    2.35643500
 H                 -3.13216100   -1.38883200    1.21085700
 C                 -2.32780300   -2.10790000   -1.38241600
 H                 -2.74653100   -3.11753000   -1.37002500
 H                 -3.13216100   -1.38883200   -1.21085700
 H                 -1.89150200   -1.90797500   -2.35643500
 C                  0.10829100    3.46316000    0.00000000
 C                 -0.26044600    4.09750800   -1.21632200
 C                 -0.26044600    4.09750800    1.21632200
 C                 -0.82496100    5.38091500   -1.19394000
 C                 -0.82496100    5.38091500    1.19394000
 C                 -1.07893300    6.03854200    0.00000000
 H                 -1.09642700    5.84421400   -2.13546000
 H                 -1.09642700    5.84421400    2.13546000
 H                 -1.51580800    7.03078100    0.00000000
 C                 -0.10829100   -3.46316000    0.00000000
 C                  0.26044600   -4.09750800   -1.21632200
 C                  0.26044600   -4.09750800    1.21632200
 C                  0.82496100   -5.38091500   -1.19394000
 C                  0.82496100   -5.38091500    1.19394000
 C                  1.07893300   -6.03854200    0.00000000
 H                  1.09642700   -5.84421400   -2.13546000
 H                  1.09642700   -5.84421400    2.13546000
 H                  1.51580800   -7.03078100    0.00000000
 C                 -0.17155900    3.46519300    2.56693800
 C                  0.47023900    4.12483200    3.62466600
 C                 -0.82003900    2.25169500    2.83088600
 C                  0.47878800    3.58059600    4.90638100
 H                  0.97964500    5.06345700    3.43540200
 C                 -0.81781600    1.71027700    4.11484200
 H                 -1.32318800    1.72762000    2.02529500
 C                 -0.16795400    2.37049000    5.15639500
 H                  0.98967700    4.10103600    5.70912900
 H                 -1.32602200    0.77094400    4.29951500
 H                 -0.16870600    1.94880400    6.15546200
 C                 -0.17155900    3.46519300   -2.56693800
 C                 -0.82003900    2.25169500   -2.83088600
 C                  0.47023900    4.12483200   -3.62466600
 C                 -0.81781600    1.71027700   -4.11484200
 H                 -1.32318800    1.72762000   -2.02529500
 C                  0.47878800    3.58059600   -4.90638100
 H                  0.97964500    5.06345700   -3.43540200
 C                 -0.16795400    2.37049000   -5.15639500
 H                 -1.32602200    0.77094400   -4.29951500
 H                  0.98967700    4.10103600   -5.70912900
 H                 -0.16870600    1.94880400   -6.15546200
 C                  0.17155900   -3.46519300   -2.56693800
 C                  0.82003900   -2.25169500   -2.83088600
 C                 -0.47023900   -4.12483200   -3.62466600
 C                  0.81781600   -1.71027700   -4.11484200
 H                  1.32318800   -1.72762000   -2.02529500
 C                 -0.47878800   -3.58059600   -4.90638100
 H                 -0.97964500   -5.06345700   -3.43540200
 C                  0.16795400   -2.37049000   -5.15639500
 H                  1.32602200   -0.77094400   -4.29951500
 H                 -0.98967700   -4.10103600   -5.70912900
 H                  0.16870600   -1.94880400   -6.15546200
 C                  0.17155900   -3.46519300    2.56693800
 C                 -0.47023900   -4.12483200    3.62466600
 C                  0.82003900   -2.25169500    2.83088600
 C                 -0.47878800   -3.58059600    4.90638100
 H                 -0.97964500   -5.06345700    3.43540200
 C                  0.81781600   -1.71027700    4.11484200
 H                  1.32318800   -1.72762000    2.02529500
 C                  0.16795400   -2.37049000    5.15639500
 H                 -0.98967700   -4.10103600    5.70912900
 H                  1.32602200   -0.77094400    4.29951500
 H                  0.16870600   -1.94880400    6.15546200

177
[Ni(PMe2ArDtbp2)2]
 Ni             0.16010100   -0.72409200   -0.45457600
 P             -1.72133300   -0.88453600    0.66353900
 C             -2.78560300   -1.71658500   -0.62893300
 C             -1.97129400   -2.23904000   -1.65981600
 C             -2.55192200   -2.74089900   -2.82684900
 H             -1.91358400   -3.14804400   -3.60322400
 C             -3.93391700   -2.71600700   -2.98827400
 H             -4.38441900   -3.08588600   -3.90330600
 C             -4.74118600   -2.23904600   -1.96188900
 H             -5.82013700   -2.25263000   -2.07125000
 C             -4.19085200   -1.75685700   -0.76383800
 C             -0.47372000   -2.32965700   -1.46650700
 C              0.47248900   -1.65294500   -2.32217100
 H              0.09019500   -0.89018600   -2.99043100
 C              1.73501800   -2.25535500   -2.63088700
 C              2.09950100   -3.41157000   -1.97197400
 H              3.05616000   -3.86606300   -2.19824600
 C              1.24408300   -4.06221100   -1.03480400
 C             -0.01064200   -3.53932800   -0.82345300
 H             -0.71902100   -4.06302000   -0.19421700
 C              2.65615400   -1.69413500   -3.73821800
 C              2.12936200   -0.38362500   -4.34976300
 H              1.16579900   -0.52485700   -4.84649700
 H              2.83512000   -0.02272400   -5.10381500
 H              2.02268900    0.39782000   -3.59535500
 C              4.06647600   -1.41594200   -3.17154900
 H              4.72787500   -1.04842300   -3.96323200
 H              4.51890900   -2.31610800   -2.74966300
 H              4.02436800   -0.65481100   -2.38914500
 C              2.76647200   -2.73674300   -4.87698500
 H              1.78118400   -2.96349500   -5.29413000
 H              3.20171200   -3.67437600   -4.52453000
 H              3.39763100   -2.35280800   -5.68575100
 C              1.73493000   -5.34902400   -0.34380400
 C              3.00919400   -5.03934500    0.47658000
 H              3.38266800   -5.94793500    0.96047400
 H              2.79874200   -4.30116300    1.25565800
 H              3.80929500   -4.64150100   -0.15160800
 C              2.06446600   -6.42133200   -1.40930300
 H              2.84669700   -6.08925200   -2.09543200
 H              1.17884400   -6.66122000   -2.00442500
 H              2.41199100   -7.34199900   -0.92894900
 C              0.68815000   -5.94381500    0.61508700
 H             -0.22918200   -6.22605900    0.09157800
 H              0.42647000   -5.24331200    1.41291700
 H              1.09075300   -6.84560600    1.08551700
 C             -5.16133200   -1.33977300    0.29651600
 C             -5.99597500   -0.24153100    0.09803600
 H             -5.87854800    0.33632500   -0.81123100
 C             -6.96169700    0.12782700    1.04628100
 C             -7.07045700   -0.65222400    2.19805400
 H             -7.81075900   -0.39033900    2.94115900
 C             -6.26654100   -1.78211200    2.42497900
 C             -5.31319200   -2.10821700    1.46025300
 H             -4.69024100   -2.98395400    1.57851800
 C             -7.86274900    1.34908200    0.77930600
 C             -8.68252700    1.10541800   -0.50971400
 H             -9.31391600    0.21836600   -0.40776100
 H             -8.03736300    0.95805100   -1.37875800
 H             -9.33073100    1.96298100   -0.71598500
 C             -6.98667800    2.61009500    0.59655500
 H             -7.61643800    3.48481200    0.40558700
 H             -6.29654100    2.50662700   -0.24359000
 H             -6.39432500    2.80757400    1.49425300
 C             -8.84994100    1.61862300    1.92938300
 H             -8.33336400    1.82504400    2.87085400
 H             -9.53158900    0.77854300    2.08842500
 H             -9.45921600    2.49436400    1.68976100
 C             -6.48160500   -2.62130800    3.69997000
 C             -5.52654400   -3.82597200    3.78018200
 H             -5.66261600   -4.51073300    2.93889300
 H             -5.72360700   -4.38805700    4.69716200
 H             -4.47815100   -3.51693200    3.80437100
 C             -7.93107200   -3.16140500    3.72122000
 H             -8.66701500   -2.35428400    3.71772600
 H             -8.09895900   -3.76217300    4.62061400
 H             -8.12338300   -3.79316700    2.84961200
 C             -6.24638800   -1.73906200    4.94828800
 H             -5.22579400   -1.34630700    4.96259600
 H             -6.39683600   -2.32504100    5.86045300
 H             -6.93162000   -0.88884600    4.98290900
 C             -1.77535400   -1.96929300    2.17161900
 H             -1.16502400   -1.49994800    2.94768100
 H             -1.33894700   -2.94096700    1.93759900
 H             -2.78909900   -2.10316800    2.55045600
 C             -2.66882800    0.58604400    1.27162100
 H             -3.62309000    0.33193000    1.73318000
 H             -2.83517300    1.27660100    0.44419300
 H             -2.03578200    1.08930200    2.00716600
 P              1.73535100    0.56871900    0.42502700
 C              2.79753800    1.78965700   -0.54567400
 C              2.11293100    2.60209900   -1.49008300
 C              2.82395400    3.27459700   -2.48987500
 H              2.27445600    3.88636900   -3.19645100
 C              4.20746000    3.18413000   -2.57304400
 H              4.74622200    3.69533100   -3.36315200
 C              4.89356100    2.47968800   -1.59587000
 H              5.97781300    2.46946600   -1.59530400
 C              4.21793800    1.80918600   -0.56473200
 C              0.64204800    2.90209400   -1.44785700
 C             -0.21997200    2.48046200   -2.46551500
 H              0.16463800    1.80636500   -3.21767900
 C             -1.54127600    2.93361600   -2.52988100
 C             -1.97470100    3.82491800   -1.54037900
 H             -2.99037400    4.19934500   -1.59093700
 C             -1.14382100    4.27626500   -0.50915000
 C              0.16896500    3.79508900   -0.47972500
 H              0.86374100    4.14809800    0.27004300
 C             -2.50698800    2.52895700   -3.66105400
 C             -1.87526300    1.52712100   -4.64435500
 H             -0.99096900    1.94023600   -5.13689200
 H             -2.59898500    1.27620200   -5.42479500
 H             -1.59169900    0.59614600   -4.14775900
 C             -3.77278600    1.87496400   -3.06172600
 H             -4.46937500    1.59989500   -3.85996000
 H             -4.29630200    2.55293500   -2.38303500
 H             -3.51960200    0.96720900   -2.50843600
 C             -2.91274300    3.79102800   -4.45898900
 H             -2.03559700    4.27033700   -4.90291300
 H             -3.41267800    4.52936800   -3.82762100
 H             -3.59957100    3.52351600   -5.26819800
 C             -1.67081900    5.31192300    0.50403100
 C             -2.93271000    4.76646200    1.21034200
 H             -3.31603100    5.50332200    1.92328500
 H             -2.70922200    3.84781400    1.75907500
 H             -3.73311900    4.54481200    0.50109300
 C             -2.03149500    6.61691500   -0.24499100
 H             -2.80910800    6.45172600   -0.99431400
 H             -1.15629200    7.02663000   -0.75675100
 H             -2.39870800    7.37079700    0.45873200
 C             -0.63151600    5.65675100    1.58698800
 H              0.27167300    6.10214100    1.16161200
 H             -0.33860500    4.77674500    2.16629400
 H             -1.05775200    6.38298400    2.28471900
 C              5.10241600    1.25493700    0.50909600
 C              6.03372600    0.25655000    0.23441400
 H              6.04996200   -0.17436700   -0.75980000
 C              6.92403600   -0.20601100    1.21510400
 C              6.85945200    0.38254300    2.47881200
 H              7.53685300    0.04453300    3.25070000
 C              5.95621400    1.41410100    2.78754500
 C              5.08335900    1.83610000    1.78594600
 H              4.38340300    2.63970500    1.96852000
 C              7.93202900   -1.31838100    0.86624100
 C              8.86121800   -0.82681500   -0.26861900
 H              9.41581900    0.06394800    0.03970400
 H              8.30062900   -0.57611700   -1.17197800
 H              9.58521500   -1.60494200   -0.52996600
 C              7.17169000   -2.57916100    0.39412700
 H              7.87924400   -3.37472700    0.14026500
 H              6.56323600   -2.38032200   -0.49064300
 H              6.50870000   -2.95280800    1.17927200
 C              8.81134000   -1.71454700    2.06631800
 H              8.21490100   -2.09724000    2.89919900
 H              9.41066900   -0.87497200    2.42898400
 H              9.50313100   -2.50639100    1.76642200
 C              5.97151900    2.03851300    4.19646700
 C              4.94490100    3.17617300    4.34716400
 H              5.13679500    3.99378000    3.64702300
 H              5.00139900    3.58790100    5.35859400
 H              3.92065800    2.82595100    4.19305500
 C              7.37367100    2.62217400    4.48913000
 H              8.15062400    1.85541400    4.45289400
 H              7.39639100    3.07207600    5.48665000
 H              7.63315900    3.39599800    3.76134600
 C              5.64111700    0.95113300    5.24563900
 H              4.64800100    0.52800700    5.07042700
 H              5.65503400    1.37864200    6.25318900
 H              6.36235900    0.13106900    5.22117400
 C              1.28119700    1.50939300    1.96656500
 H              0.83361800    0.79965800    2.66704500
 H              0.54098400    2.27244800    1.72991100
 H              2.14935200    1.97407400    2.43813500
 C              2.86808700   -0.70412200    1.16197300
 H              3.57198100   -0.31361100    1.89420800
 H              3.40693900   -1.22791400    0.37335000
 H              2.20531700   -1.42607900    1.64506000

105
[Ni(PMe2Arm-Xyl2)2]
 Ni                -0.07282900    0.70436400   -0.04187600
 P                  1.84353100    0.61666700    0.98340200
 C                  2.90941500    1.24509500   -0.42142900
 C                  2.11067500    1.90383900   -1.38418900
 C                  2.66942100    2.31279300   -2.59649900
 H                  2.04414800    2.82742900   -3.31906900
 C                  4.00839800    2.05652700   -2.87391300
 H                  4.43711600    2.35411700   -3.82623200
 C                  4.80607700    1.43810000   -1.91801100
 H                  5.85930700    1.26744100   -2.11771800
 C                  4.28341600    1.04794000   -0.67577100
 C                  0.67130700    2.21825300   -1.05883700
 C                 -0.44351100    1.64156900   -1.78536100
 H                 -0.23475500    0.87764500   -2.53286000
 C                 -1.65484200    2.39286600   -1.96624300
 C                 -1.80556000    3.60888900   -1.35002900
 H                 -2.72997000    4.16768600   -1.47846600
 C                 -0.75284700    4.18490300   -0.57244800
 C                  0.43824200    3.51732200   -0.45800000
 H                  1.26668800    3.99285800    0.06179000
 C                  5.24550000    0.45884300    0.30509700
 C                  5.83198400   -0.78642400    0.07098400
 H                  5.54147900   -1.34925900   -0.81167000
 C                  6.77157900   -1.32647900    0.95580100
 C                  7.12962300   -0.58395000    2.08117000
 H                  7.86514900   -0.98888600    2.77268600
 C                  6.57781400    0.67671000    2.33488800
 C                  5.63838900    1.18451400    1.43702800
 H                  5.22347100    2.17443600    1.59770200
 C                  2.17509400    1.73689800    2.42481200
 H                  1.58346100    1.38942300    3.27588900
 H                  1.85199600    2.75007700    2.18378500
 H                  3.22686000    1.75035800    2.71364700
 C                  2.61175100   -0.95737800    1.57301900
 H                  3.61775000   -0.83699100    1.97369600
 H                  2.62898600   -1.67237700    0.74988200
 H                  1.96549700   -1.36427800    2.35532200
 P                 -1.81057500   -0.40360900    0.71476200
 C                 -2.90335800   -1.38208100   -0.46234100
 C                 -2.21643000   -2.17654800   -1.41807900
 C                 -2.89169400   -2.69115000   -2.52838400
 H                 -2.33914300   -3.29342400   -3.24201000
 C                 -4.24723100   -2.45344000   -2.71476300
 H                 -4.75970900   -2.84363800   -3.58833000
 C                 -4.94669900   -1.75119400   -1.74575600
 H                 -6.01930200   -1.61689000   -1.84064800
 C                 -4.30661600   -1.23758000   -0.60810200
 C                 -0.77739600   -2.57209600   -1.28832200
 C                  0.18836100   -2.09105300   -2.17437900
 H                 -0.09290600   -1.34372000   -2.90837200
 C                  1.50468500   -2.56201100   -2.14184700
 C                  1.83527900   -3.54771700   -1.21044100
 H                  2.85143100   -3.93532800   -1.18718700
 C                  0.89022200   -4.06097400   -0.31602100
 C                 -0.41166900   -3.56161400   -0.36664700
 H                 -1.17000200   -3.97698700    0.28981300
 C                 -5.21486000   -0.63087800    0.41266800
 C                 -5.95596500    0.51700600    0.12544800
 H                 -5.81095600    1.01528300   -0.82896300
 C                 -6.86501200    1.04428500    1.04773100
 C                 -7.03546500    0.38525300    2.26616000
 H                 -7.74726500    0.77991700    2.98743800
 C                 -6.32478900   -0.77888500    2.57717300
 C                 -5.41971900   -1.27577900    1.63841400
 H                 -4.87785800   -2.19300300    1.84814400
 C                 -1.63797500   -1.48945000    2.21109600
 H                 -1.18259400   -0.88668800    3.00130500
 H                 -0.97506700   -2.32700300    1.99890700
 H                 -2.59668000   -1.86852900    2.57090200
 C                 -2.82072000    0.96489500    1.44469900
 H                 -3.66852000    0.64624200    2.04708400
 H                 -3.15712100    1.63996100    0.65795800
 H                 -2.13215800    1.52936500    2.07865300
 C                 -0.96771500    5.53182300    0.07341100
 H                 -1.75835600    5.49198000    0.83176400
 H                 -0.06044900    5.89511200    0.56195000
 H                 -1.27423100    6.28427800   -0.66173100
 C                  6.99900300    1.46474500    3.55251900
 H                  6.59002600    2.47702900    3.53719200
 H                  6.65682700    0.98495600    4.47551200
 H                  8.08782900    1.54706700    3.61932800
 C                  7.36452500   -2.69235100    0.70366600
 H                  6.66927700   -3.48659900    0.99682300
 H                  7.59443100   -2.84148400   -0.35472100
 H                  8.28631300   -2.84156000    1.27018700
 C                 -7.62721600    2.30958700    0.73426300
 H                 -7.00073700    3.19559200    0.88348700
 H                 -7.96575400    2.32763800   -0.30506500
 H                 -8.50539000    2.41940400    1.37440800
 C                 -2.73531900    1.81230800   -2.84158300
 H                 -3.61084900    2.46474700   -2.88874200
 H                 -2.37838700    1.66151100   -3.86704900
 H                 -3.05914900    0.83380900   -2.47374700
 C                 -6.52664300   -1.47164100    3.90397400
 H                 -6.21488200   -2.51768400    3.86305200
 H                 -5.94413100   -0.98849200    4.69619200
 H                 -7.57423400   -1.44715000    4.21509500
 C                  1.27697400   -5.12750700    0.68058300
 H                  0.39855000   -5.59136300    1.13453400
 H                  1.86790800   -5.92010200    0.21285900
 H                  1.88415000   -4.71109500    1.49188700
 C                  2.54203800   -1.99628600   -3.08029200
 H                  2.90369600   -1.02664400   -2.72369900
 H                  3.40565300   -2.65941200   -3.17182500
 H                  2.13426600   -1.83781500   -4.08222100

113
[Ni(P(OPh)2ArPh2)2]
 Ni                 0.12850100   -0.43863200   -1.14267500
 P                  1.93012500    0.06614000   -0.06219100
 P                 -1.88075800   -0.00464900   -0.49133600
 O                  2.49664700   -1.10232900    0.98267900
 O                  1.74974400    1.38535200    0.95112100
 O                 -2.45678900    0.50524500    0.98458900
 O                 -2.79352500    0.91107400   -1.56616200
 C                  1.69294200   -1.81417000    1.86179000
 C                  2.00049600   -3.16207300    2.04451600
 H                  2.81068300   -3.59846100    1.47538300
 C                  1.27254600   -3.91351100    2.96277200
 H                  1.51595500   -4.96065700    3.10520900
 C                  0.24002000   -3.32848500    3.69591300
 H                 -0.32172300   -3.91628500    4.41287900
 C                 -0.05621900   -1.98103800    3.50507300
 H                 -0.85110500   -1.51088600    4.07263900
 C                  0.66669100   -1.21394100    2.59178300
 H                  0.44475300   -0.16302100    2.46426200
 C                  3.53613800    0.49969700   -0.91606000
 C                  3.48905700    1.69101200   -1.68847200
 C                  2.23287200    2.45014500   -1.98365400
 C                  1.21082700    1.87932200   -2.75599600
 H                  1.31856800    0.86596700   -3.12649900
 C                  0.08470500    2.62452200   -3.10558600
 H                 -0.69422700    2.16407800   -3.70102700
 C                 -0.03437600    3.95025100   -2.69440700
 H                 -0.90925200    4.52889000   -2.96933600
 C                  0.98172200    4.53039400   -1.93533500
 H                  0.90134700    5.56470700   -1.61827600
 C                  2.10657500    3.78691600   -1.58528400
 H                  2.89112900    4.23984400   -0.99009100
 C                  4.66332600    2.21082000   -2.24271700
 H                  4.60447900    3.12262300   -2.82560600
 C                  5.87882600    1.56351200   -2.07635000
 H                  6.78393600    1.97459800   -2.50918900
 C                  5.91797500    0.36385400   -1.38187800
 H                  6.85335000   -0.17554300   -1.28738800
 C                  4.76615000   -0.19600400   -0.80898400
 C                  4.99102400   -1.54047400   -0.18322800
 C                  5.78212000   -1.67035700    0.96389000
 H                  6.14140500   -0.77913100    1.46624200
 C                  6.11138800   -2.92862500    1.46467100
 H                  6.71752300   -3.00866700    2.36037600
 C                  5.67258300   -4.08018700    0.81345300
 H                  5.93795300   -5.05925200    1.19621900
 C                  4.89673100   -3.96203600   -0.33899200
 H                  4.56004900   -4.85072200   -0.86185300
 C                  4.55817600   -2.70294600   -0.82965200
 H                  3.96670400   -2.61833800   -1.73286400
 C                  2.65997900    2.03209600    1.77145500
 C                  3.73779000    1.39563600    2.38845300
 H                  3.91347400    0.34277800    2.22375900
 C                  4.56929700    2.13010500    3.23431100
 H                  5.40412800    1.63243400    3.71580000
 C                  4.33179800    3.48099000    3.47517000
 H                  4.98116800    4.04150700    4.13759200
 C                  3.24257400    4.10202100    2.86354800
 H                  3.03808800    5.15048200    3.05120300
 C                  2.40767000    3.38362300    2.01355900
 H                  1.54951900    3.84413000    1.54247400
 C                 -2.19825100    1.72258200    1.58295000
 C                 -1.62955900    2.80819700    0.91591400
 H                 -1.32677600    2.72514900   -0.11988900
 C                 -1.45181200    4.00927200    1.60327700
 H                 -1.01526600    4.85331500    1.08060300
 C                 -1.83196500    4.13347200    2.93693900
 H                 -1.69266200    5.07179400    3.46112500
 C                 -2.39593300    3.03761500    3.59179700
 H                 -2.69752500    3.12038500    4.63012300
 C                 -2.58134500    1.83349000    2.92099800
 H                 -3.03246500    0.97717400    3.40676800
 C                 -2.60892800   -1.70032700   -0.53760400
 C                 -3.57586800   -2.33088300    0.27543500
 C                 -3.84185200   -3.69024300    0.05135000
 H                 -4.57848300   -4.18223600    0.67634300
 C                 -3.19125400   -4.40846700   -0.94542500
 H                 -3.42461600   -5.45698900   -1.09552300
 C                 -2.23511600   -3.78399100   -1.73907400
 H                 -1.71244300   -4.33577800   -2.51236100
 C                 -1.92812700   -2.43905200   -1.53199600
 C                 -0.85316600   -1.79440800   -2.38299600
 C                  0.52864200   -2.17522500   -2.23140000
 H                  0.80929700   -2.84648400   -1.42543800
 C                  1.41847800   -2.05232300   -3.34137800
 H                  2.43617600   -2.41082700   -3.23606400
 C                  1.00513000   -1.51949400   -4.53715500
 H                  1.69557300   -1.43424100   -5.36848500
 C                 -0.34539600   -1.11072300   -4.69129100
 H                 -0.67864500   -0.70335000   -5.63980100
 C                 -1.24190300   -1.25872600   -3.66391700
 H                 -2.27932400   -0.98530000   -3.81519300
 C                 -4.32034800   -1.69650600    1.41007700
 C                 -5.37199900   -0.79977600    1.20024600
 H                 -5.62579700   -0.49627700    0.19307300
 C                 -6.10435900   -0.30250100    2.27669900
 H                 -6.91834200    0.39009200    2.09375700
 C                 -5.79953400   -0.69501400    3.57869000
 H                 -6.37240800   -0.30846500    4.41436100
 C                 -4.75626100   -1.59356200    3.79768200
 H                 -4.51282800   -1.90998200    4.80637200
 C                 -4.02701000   -2.09395400    2.72083000
 H                 -3.21506900   -2.79141300    2.89392100
 C                 -4.16850000    1.05242200   -1.65824100
 C                 -4.91174900    0.15749800   -2.42829200
 H                 -4.41852600   -0.68530000   -2.89484300
 C                 -6.28234900    0.35812200   -2.58414200
 H                 -6.85854100   -0.33848900   -3.18285000
 C                 -6.90975900    1.44619600   -1.97848100
 H                 -7.97520100    1.60041700   -2.10428500
 C                 -6.15619500    2.33708500   -1.21440000
 H                 -6.63473800    3.18815400   -0.74262900
 C                 -4.78597000    2.14492300   -1.05077300
 H                 -4.19133300    2.83158500   -0.46148300

105
[Ni(PMe2Aro-Xyl2)2]
 Ni                -0.02045500   -0.80885700   -0.51699500
 P                 -1.72109700    0.22923300    0.35988700
 C                 -3.15774500   -0.78522100   -0.28840200
 C                 -2.69483000   -1.94541500   -0.93907400
 C                 -3.60078500   -2.81562800   -1.55671300
 H                 -3.22201200   -3.70400400   -2.05255700
 C                 -4.96212700   -2.55027400   -1.52970600
 H                 -5.66324500   -3.22309800   -2.01437400
 C                 -5.42732100   -1.41828500   -0.86738400
 H                 -6.49303700   -1.21265500   -0.83129900
 C                 -4.54962400   -0.52867200   -0.23755600
 C                 -1.22742300   -2.31310500   -0.96266400
 C                 -0.42428500   -2.07015400   -2.15017700
 C                  0.57879600   -3.02099200   -2.50963000
 C                  0.90186100   -4.08008600   -1.70258800
 H                  1.68130900   -4.77898100   -1.98770300
 C                  0.21341900   -4.24773900   -0.47915500
 C                 -0.82723500   -3.42395600   -0.11003400
 C                 -5.18070700    0.64103000    0.46425000
 C                 -5.50916500    1.80552400   -0.25859300
 C                 -6.12286700    2.87026300    0.40872600
 C                 -6.43343100    2.78360600    1.76027500
 H                 -6.90462600    3.62039800    2.26665600
 C                 -6.15316100    1.61371000    2.45690300
 C                 -5.54053900    0.52851600    1.82344400
 C                 -2.03365900    0.47624100    2.17200700
 H                 -1.20869200    1.06543900    2.57810000
 H                 -2.03395800   -0.48743100    2.68275200
 H                 -2.97021900    0.99562000    2.37937300
 C                 -2.04697800    1.93537500   -0.28465800
 H                 -2.97450400    2.36555500    0.09379900
 H                 -2.08165900    1.90875000   -1.37453900
 H                 -1.21706400    2.58094600    0.00103500
 P                  1.94624000    0.15191800   -0.93781900
 C                  3.12410000    0.86612200    0.36948900
 C                  3.34297400    2.25206100    0.59812100
 C                  4.23400200    2.67224100    1.59611800
 H                  4.37630200    3.73877300    1.74090200
 C                  4.91361400    1.76900300    2.39536400
 H                  5.59412800    2.11318700    3.16769800
 C                  4.69779900    0.41587500    2.19243700
 H                  5.20755900   -0.31318200    2.81397100
 C                  3.82316500   -0.05230700    1.20323500
 C                  2.67140100    3.39757800   -0.10850700
 C                  3.31484000    4.05076200   -1.17690600
 C                  2.70046300    5.16204300   -1.76027700
 C                  1.48542800    5.64057500   -1.28354600
 H                  1.01863500    6.50285100   -1.74947800
 C                  0.87979500    5.02110200   -0.19591900
 C                  1.46604800    3.90723200    0.41140900
 C                  3.72730800   -1.55599600    1.16203100
 C                  4.79568000   -2.30120600    0.61862600
 C                  4.77418600   -3.69488300    0.71816600
 C                  3.73848000   -4.34795600    1.37469200
 H                  3.73948000   -5.43081700    1.45373600
 C                  2.70674200   -3.60752600    1.93709000
 C                  2.68292400   -2.21398000    1.84323100
 C                  3.12727800   -0.81969200   -1.99251600
 H                  2.62364100   -1.00301600   -2.94209000
 H                  3.35891900   -1.78383600   -1.54824400
 H                  4.04964200   -0.26733300   -2.18549200
 C                  1.60825400    1.47868300   -2.18842900
 H                  2.51015100    1.92985400   -2.60016400
 H                  0.95503800    2.25775100   -1.80518900
 H                  1.08120500    0.97032400   -2.99892200
 C                  4.65711500    3.58334700   -1.68973400
 H                  4.68221000    2.50467500   -1.86212300
 H                  4.91419900    4.08171200   -2.62676200
 H                  5.45486600    3.79733200   -0.97141400
 C                  5.98801400   -1.63474500   -0.03046400
 H                  6.48959800   -2.31986800   -0.71781000
 H                  5.71471800   -0.73733800   -0.58531600
 H                  6.72640700   -1.32697300    0.71784900
 C                  1.55121800   -1.44409000    2.47298400
 H                  1.90758400   -0.60573900    3.07642300
 H                  0.89677200   -1.02730300    1.69629600
 H                  0.94157300   -2.09012500    3.10745500
 C                  0.82821400    3.28257000    1.62919100
 H                  0.64043400    2.21656200    1.48072900
 H                  1.47873300    3.36539400    2.50477400
 H                 -0.11913300    3.76794800    1.87198400
 C                 -1.58857500   -3.69637000    1.16498900
 H                 -1.62700000   -2.81172100    1.80962300
 H                 -2.62662700   -3.98462800    0.97089500
 H                 -1.12168600   -4.50319500    1.73463900
 C                 -0.97336200   -1.20630400   -3.27462300
 H                 -1.53149000   -0.34172100   -2.91145200
 H                 -0.16686400   -0.83736500   -3.91484200
 H                 -1.65670200   -1.77766900   -3.91561900
 C                 -5.33850900   -0.75917900    2.58852400
 H                 -4.38703000   -1.23832600    2.35856900
 H                 -5.38426300   -0.58773000    3.66621100
 H                 -6.12025000   -1.48448500    2.33800800
 C                 -5.26186700    1.91114000   -1.74614500
 H                 -6.09302300    1.47306900   -2.30971700
 H                 -5.17260800    2.95444700   -2.05746000
 H                 -4.36176500    1.38229500   -2.05811300
 H                 -6.41970800    1.53336200    3.50684900
 H                 -6.36325300    3.77415000   -0.14382700
 H                  0.49392900   -5.06569300    0.17818500
 H                  5.58916600   -4.26947800    0.28705300
 H                  1.08306300   -2.89646000   -3.46541000
 H                  1.90360800   -4.11349600    2.46331200
 H                 -0.05489200    5.41056500    0.19687500
 H                  3.18449800    5.65839700   -2.59640800

70
[Ni(PMe2ArPh2)(DVDS)]
 Ni                -1.01382000    0.27375400    0.04589900
 P                  0.98435100    0.22982000    0.98906600
 Si                -3.15431100   -1.81663900   -1.35863500
 Si                -4.17814100   -0.04928400    0.92729300
 O                 -4.26229300   -1.21247000   -0.26703300
 C                  2.52896200    0.53062400   -0.04559400
 C                  3.55911800   -0.41258700   -0.28445200
 C                  4.74197000   -0.00958500   -0.92218100
 H                  5.51499000   -0.75197200   -1.09043200
 C                  4.92639800    1.29343400   -1.35427900
 H                  5.84872700    1.58574100   -1.84561500
 C                  3.90015000    2.20970700   -1.17887100
 H                  4.00557900    3.22311000   -1.55137700
 C                  2.70385300    1.84987600   -0.54856600
 C                  3.50481100   -1.87336300    0.04472300
 C                  4.30260300   -2.40662000    1.06415800
 H                  4.90985600   -1.73964000    1.66854400
 C                  4.31500100   -3.77639900    1.31701100
 H                  4.93138900   -4.17066700    2.11879200
 C                  3.54248300   -4.63844700    0.54105900
 H                  3.55333600   -5.70602400    0.73538000
 C                  2.76659700   -4.12208000   -0.49456100
 H                  2.17571700   -4.78716500   -1.11628400
 C                  2.75073400   -2.75072000   -0.74220100
 H                  2.15718400   -2.35618700   -1.55916800
 C                  1.66967700    2.93333000   -0.48534900
 C                  0.50624200    2.86485600   -1.26088600
 H                  0.32850900    1.99487800   -1.88096800
 C                 -0.40122500    3.92214400   -1.27841300
 H                 -1.29367600    3.85073800   -1.89149700
 C                 -0.16372600    5.06486900   -0.51892400
 H                 -0.87308800    5.88597300   -0.53085600
 C                  0.99639400    5.15114800    0.24897000
 H                  1.19567600    6.04076300    0.83803300
 C                  1.90727200    4.09760200    0.25837100
 H                  2.81239600    4.17219700    0.85324000
 C                  1.15258900   -1.37093400    1.89979200
 H                  2.09772600   -1.47054800    2.43235800
 H                  1.01332000   -2.23042000    1.24984700
 H                  0.33927200   -1.36543500    2.63072800
 C                  1.35812200    1.34746900    2.42266800
 H                  0.64089300    1.13909600    3.21850600
 H                  1.26564100    2.39528600    2.14865300
 H                  2.36666500    1.16582600    2.80126600
 C                 -0.40830400   -0.88100100   -1.45323300
 H                 -0.11656800   -1.87371500   -1.11635100
 H                  0.34532800   -0.39655000   -2.07258100
 C                 -1.77507900   -0.57935000   -1.61560200
 H                 -2.01241500    0.23613400   -2.30347400
 C                 -2.48488400   -3.45304900   -0.70477600
 H                 -1.91258900   -3.32907100    0.21940800
 H                 -1.83508200   -3.94814100   -1.43318800
 H                 -3.31014700   -4.13704000   -0.48442400
 C                 -4.07726000   -2.11618900   -2.97117600
 H                 -4.91751600   -2.80169900   -2.82442100
 H                 -3.42163800   -2.54938600   -3.73307300
 H                 -4.48398600   -1.18481200   -3.37678900
 C                 -3.92181100   -0.89911700    2.59010600
 H                 -4.71265300   -1.63479000    2.76572200
 H                 -3.94558600   -0.18840500    3.42207600
 H                 -2.96787100   -1.43313000    2.63633000
 C                 -5.82579200    0.85939000    0.93181300
 H                 -6.00842200    1.35750200   -0.02515200
 H                 -5.85761600    1.62474400    1.71366400
 H                 -6.65804400    0.17029000    1.10491700
 C                 -2.77812500    1.12738400    0.54402600
 H                 -2.99501300    1.86136900   -0.23563000
 C                 -1.75888800    1.47011800    1.44962100
 H                 -1.73943000    1.01396400    2.43808500
 H                 -1.29377900    2.45237000    1.41009600

82
[Ni(PMe2Arm-Xyl2)(DVDS)]
 Ni                -1.22232900   -0.24214600    0.11223900
 P                  0.86945000    0.15244200    0.70330700
 Si                -3.90763900   -1.67976500    1.38101300
 Si                -2.90519600   -2.69547200   -1.32924300
 O                 -3.91146300   -2.61934600    0.00090300
 C                  1.89050100    1.15327000   -0.51447000
 C                  3.18779600    0.81574700   -0.97451700
 C                  3.72758300    1.48073000   -2.08483200
 H                  4.71901100    1.19920800   -2.42384400
 C                  3.03794000    2.49901600   -2.72412200
 H                  3.47220600    3.00244000   -3.58193100
 C                  1.80156200    2.89125100   -2.22991500
 H                  1.26938400    3.72031500   -2.68421100
 C                  1.22262100    2.24158800   -1.13556800
 C                  4.09966900   -0.17921700   -0.32797800
 C                  4.70115400    0.11405500    0.90241000
 C                  5.61644600   -0.76109500    1.48785400
 C                  5.92485800   -1.94979700    0.81648900
 H                  6.63576200   -2.64076500    1.26377600
 C                  5.35585600   -2.26378200   -0.41789900
 C                  4.45072400   -1.35969000   -0.98440000
 C                 -0.08235700    2.80299600   -0.65891100
 C                 -1.24498700    2.66635200   -1.42015300
 C                 -2.43915400    3.28747200   -1.03886000
 C                 -2.44535100    4.06479800    0.11905000
 H                 -3.36645600    4.55704200    0.42206100
 C                 -1.29320100    4.24028700    0.89336200
 C                 -0.11906600    3.60432200    0.48964600
 C                  1.66298400   -1.50131600    0.94415600
 H                  0.96811800   -2.06840000    1.56942500
 H                  2.63131000   -1.46727500    1.43786600
 H                  1.75892300   -2.02556600   -0.00455000
 C                  1.24578300    0.90927700    2.35178400
 H                  0.76737600    1.88203800    2.44861500
 H                  2.32001500    1.01736800    2.50948400
 H                  0.84430100    0.25669900    3.13015900
 C                 -0.62877000   -0.92393300   -1.66094500
 H                 -0.19473100   -0.13931600   -2.27641000
 H                  0.00176100   -1.80817100   -1.58529400
 C                 -2.02681700   -1.06088700   -1.54723900
 H                 -2.62788600   -0.27844200   -2.01660700
 C                 -1.67575900   -4.10354000   -1.08383500
 H                 -1.00296000   -3.92109600   -0.24054400
 H                 -1.05747700   -4.26601700   -1.97220100
 H                 -2.20626400   -5.03828300   -0.87821100
 C                 -3.99575300   -3.06749100   -2.81795100
 H                 -4.55421600   -3.99794600   -2.67670500
 H                 -3.40368200   -3.16889200   -3.73297600
 H                 -4.72726000   -2.27095200   -2.98469800
 C                 -3.01005700   -0.07628900    1.04571900
 H                 -3.58036700    0.66624500    0.48335400
 C                 -1.95837500    0.42387500    1.83363100
 H                 -1.60265600   -0.15040500    2.68778100
 H                 -1.80279400    1.49601000    1.92713400
 C                 -5.70814400   -1.35840800    1.82657000
 H                 -6.22290100   -0.80762900    1.03346900
 H                 -6.25168400   -2.29614700    1.97747400
 H                 -5.79418700   -0.77073100    2.74598600
 C                 -3.08071800   -2.64462200    2.77416300
 H                 -3.15083600   -2.12076500    3.73256800
 H                 -3.56145000   -3.61982100    2.89806600
 H                 -2.02080400   -2.82947100    2.57458300
 C                  5.68609700   -3.55904100   -1.12004300
 C                  6.27827900   -0.43395400    2.80523100
 C                 -3.69178600    3.09797400   -1.85889400
 C                 -1.32785200    5.10510700    2.13081000
 H                  3.99893800   -1.58515200   -1.94649700
 H                  4.46640300    1.05279000    1.39481600
 H                  0.79565200    3.76198900    1.05267700
 H                 -1.21888100    2.07110600   -2.32713700
 H                  6.63299400   -3.97651400   -0.77068000
 H                  6.11176300   -1.22421400    3.54359500
 H                  7.36154400   -0.32669600    2.69031500
 H                  5.89830900    0.49902900    3.22651100
 H                  5.75875200   -3.42241900   -2.20204000
 H                  4.91188400   -4.31332000   -0.94235000
 H                 -0.32782900    5.25992600    2.54145300
 H                 -1.94077900    4.65108100    2.91636500
 H                 -1.75616800    6.08924900    1.91959700
 H                 -4.46221100    3.82444100   -1.59205600
 H                 -4.11430000    2.09916300   -1.70558700
 H                 -3.49101700    3.19949200   -2.92897000

82
[Ni(PMe2Aro-Xyl2)(DVDS)]
 Ni                 1.33520100    0.03775000    0.03799600
 P                 -0.71729600    0.05175300   -0.82840400
 Si                 4.44972400   -0.11881600   -1.08735100
 Si                 3.61229400   -2.17719300    1.00643800
 O                  4.65547200   -1.40613500   -0.04444600
 C                 -2.21216500    0.55282900    0.21835700
 C                 -3.33305100   -0.26991000    0.51182800
 C                 -4.33823200    0.20116800    1.36965900
 H                 -5.18084400   -0.45089400    1.57717900
 C                 -4.28415400    1.46282700    1.93798700
 H                 -5.07323900    1.80533500    2.59974200
 C                 -3.20796100    2.28309900    1.63655000
 H                 -3.15003600    3.28192700    2.05709300
 C                 -2.17696500    1.85546600    0.79387300
 C                 -3.60850400   -1.64642800   -0.03310800
 C                 -4.33190700   -1.78531700   -1.23500200
 C                 -4.64354100   -3.06706600   -1.69594900
 H                 -5.19111800   -3.17744800   -2.62737300
 C                 -4.26980000   -4.19636400   -0.97657600
 H                 -4.51388600   -5.18609600   -1.34956300
 C                 -3.59832800   -4.05095600    0.23098400
 H                 -3.32599500   -4.93072400    0.80655300
 C                 -3.27243000   -2.78462600    0.72580100
 C                 -4.79933400   -0.58037600   -2.01791300
 H                 -5.51041700    0.01956600   -1.44203800
 H                 -5.29258900   -0.88326000   -2.94345700
 H                 -3.97656900    0.08836300   -2.28186100
 C                 -2.59860100   -2.66216600    2.07183000
 H                 -1.76169600   -1.96423600    2.05281900
 H                 -2.22308200   -3.62906700    2.41244000
 H                 -3.29601800   -2.29369000    2.83139700
 C                 -1.10293000    2.88495300    0.55417200
 C                 -0.01430000    2.99191600    1.44404500
 C                  0.92609700    4.00734500    1.24951200
 H                  1.77299500    4.08035700    1.92535300
 C                  0.78900700    4.92167600    0.21263700
 H                  1.53364700    5.69794800    0.06733100
 C                 -0.31628800    4.84821900   -0.62660600
 H                 -0.44405400    5.58226900   -1.41697900
 C                 -1.28164100    3.85072600   -0.45957300
 C                  0.11290700    2.09595100    2.65179100
 H                 -0.44456500    2.51202500    3.49906200
 H                  1.15496800    1.99948800    2.96206700
 H                 -0.27986100    1.09816500    2.47124100
 C                 -2.53010400    3.89445600   -1.31261600
 H                 -2.92871900    2.90577000   -1.53632300
 H                 -2.34265600    4.40880300   -2.25794800
 H                 -3.32670100    4.44269700   -0.79753700
 C                 -0.97953800   -1.63680300   -1.53764600
 H                 -0.09095300   -1.82028800   -2.14827300
 H                 -1.85936800   -1.72134700   -2.17274200
 H                 -1.01844200   -2.40495500   -0.77065200
 C                 -0.97125600    1.00563100   -2.39792100
 H                 -0.70802700    2.05310400   -2.27747900
 H                 -1.99655400    0.92779900   -2.76319700
 H                 -0.30781500    0.57605900   -3.15122900
 C                  0.87402600   -1.31227800    1.42540700
 H                  0.18571000   -0.92893300    2.17497100
 H                  0.56311900   -2.26424100    0.99940800
 C                  2.24614700   -1.00285800    1.50582600
 H                  2.52859200   -0.27274900    2.26848200
 C                  2.91769800   -3.71380600    0.16433800
 H                  2.28761700   -3.46612100   -0.69510300
 H                  2.31858200   -4.32060200    0.85039200
 H                  3.73294300   -4.34446100   -0.20322400
 C                  4.62374300   -2.68711100    2.50921300
 H                  5.45841400   -3.33463300    2.22360700
 H                  4.01319600   -3.23080000    3.23700400
 H                  5.04660800   -1.81566100    3.01811100
 C                  3.06571600    0.97360100   -0.46610300
 H                  3.32075700    1.61205800    0.38315700
 C                  1.99279500    1.40079600   -1.26303900
 H                  1.91681700    1.05338100   -2.29144100
 H                  1.51692000    2.36062900   -1.08376400
 C                  6.07739000    0.82431300   -1.12522200
 H                  6.33232000    1.21850000   -0.13690800
 H                  6.90170600    0.17748600   -1.44091700
 H                  6.03314200    1.67110900   -1.81723800
 C                  4.06483000   -0.78663500   -2.80769800
 H                  4.03088800    0.00643200   -3.56100900
 H                  4.83444500   -1.50011000   -3.11757200
 H                  3.10566100   -1.31268900   -2.83609700

118
[Ni(PMe2ArDtbp2)(DVDS)]
 Ni                -1.31322700    1.15051600   -0.32183500
 P                  0.42737100   -0.18523000   -0.55248700
 Si                -2.91267100    3.28539200   -2.24501000
 Si                -1.66397000    4.35687100    0.34087700
 O                 -2.50229300    4.43148800   -1.10164500
 C                  0.89214800   -1.24589400    0.92424700
 C                  2.18751600   -1.33135100    1.49532900
 C                  2.35781800   -1.92953300    2.75226600
 H                  3.35769000   -1.97528600    3.17077100
 C                  1.29093000   -2.48372800    3.44080600
 H                  1.44184500   -2.94368100    4.41218800
 C                  0.03398200   -2.47493900    2.85398500
 H                 -0.80298800   -2.95146500    3.35306400
 C                 -0.18314300   -1.87357200    1.60895400
 C                  3.46077100   -0.88147900    0.84648500
 C                  4.00557800   -1.60965600   -0.21350700
 C                  5.24455000   -1.27297600   -0.77008100
 C                  5.92353000   -0.17235500   -0.23225800
 H                  6.87855000    0.10453500   -0.65277700
 C                  5.41730000    0.57402200    0.83926600
 C                  4.18198600    0.19223400    1.37215200
 C                 -1.58188200   -2.01086300    1.08178800
 C                 -2.64872600   -1.39530100    1.74496000
 C                 -3.97685700   -1.66616400    1.40269300
 C                 -4.20922300   -2.57207300    0.36011200
 H                 -5.22906200   -2.79444000    0.08496200
 C                 -3.17275200   -3.22179400   -0.31973200
 C                 -1.85883000   -2.92457900    0.06076600
 C                  1.84321700    0.92789200   -0.97550300
 H                  1.47113300    1.57622900   -1.77341200
 H                  2.72878000    0.40747600   -1.33273800
 H                  2.11309600    1.56051200   -0.13274900
 C                  0.53889400   -1.33707000   -1.99875700
 H                 -0.32052000   -2.00203800   -2.03439300
 H                  1.45512300   -1.92903800   -1.97125400
 H                  0.53992800   -0.73994000   -2.91326900
 C                 -0.59164800    1.86542600    1.39294600
 H                 -0.65891200    1.12883800    2.19126500
 H                  0.40010700    2.30302700    1.29602400
 C                 -1.72228900    2.61191300    1.00818800
 H                 -2.66521700    2.33748300    1.48374600
 C                  0.11087400    4.91818600    0.04418700
 H                  0.64884300    4.24439100   -0.62914200
 H                  0.68114700    4.98081900    0.97628900
 H                  0.12276500    5.91174600   -0.41426400
 C                 -2.50775200    5.55084500    1.52643000
 H                 -2.53209600    6.56490500    1.11573700
 H                 -1.98827700    5.59249700    2.48897600
 H                 -3.54240900    5.25365200    1.72256600
 C                 -2.92505400    1.59313200   -1.45332400
 H                 -3.80232600    1.37598300   -0.84046400
 C                 -2.22652300    0.47704600   -1.94907800
 H                 -1.61899800    0.57410300   -2.84710700
 H                 -2.60410200   -0.52906100   -1.77936800
 C                 -4.62351600    3.73925800   -2.88544700
 H                 -5.36913300    3.71131800   -2.08507900
 H                 -4.63343200    4.74992100   -3.30500600
 H                 -4.95363800    3.04925600   -3.66838200
 C                 -1.67250700    3.36698200   -3.66321700
 H                 -1.95046700    2.70478300   -4.48915800
 H                 -1.61948200    4.38434700   -4.06270000
 H                 -0.66278000    3.09217900   -3.34355500
 C                  6.17188800    1.77333400    1.44490700
 C                  5.82289800   -2.12193000   -1.91956300
 C                  7.50176700    2.05958200    0.72571300
 H                  7.99357600    2.91918700    1.18867000
 H                  8.19495400    1.21641700    0.78967300
 H                  7.35391900    2.30029700   -0.33058600
 C                  6.48460300    1.48368900    2.93067000
 H                  5.57678100    1.32141600    3.51612700
 H                  7.10971800    0.59239100    3.03434400
 H                  7.02078800    2.32535100    3.37985500
 C                  5.29448900    3.04171800    1.34635600
 H                  5.05562100    3.27583400    0.30537600
 H                  4.35151700    2.93194800    1.88660700
 H                  5.81844100    3.90268900    1.77259100
 C                  4.85049900   -2.10613300   -3.12028200
 H                  3.87130700   -2.51526000   -2.86167000
 H                  4.69877300   -1.08846900   -3.49091300
 H                  5.24903400   -2.70678700   -3.94365600
 C                  7.18682600   -1.60442700   -2.40900400
 H                  7.94225300   -1.62603800   -1.61898800
 H                  7.55035200   -2.23736100   -3.22286300
 H                  7.12534900   -0.58304600   -2.79436100
 C                  6.01098200   -3.57763200   -1.43463600
 H                  6.69777800   -3.62293800   -0.58505400
 H                  5.06758100   -4.03020600   -1.12108700
 H                  6.42500000   -4.19767100   -2.23583700
 C                 -5.12608600   -1.03521700    2.21377300
 C                 -4.96927000    0.49880200    2.26935700
 H                 -4.03471300    0.80070400    2.74579200
 H                 -4.98611300    0.93404200    1.26742700
 H                 -5.78757800    0.94296800    2.84413200
 C                 -6.51073300   -1.34646800    1.61738300
 H                 -6.73329100   -2.41680400    1.62110500
 H                 -7.28579300   -0.85505500    2.21157000
 H                 -6.60537500   -0.98204900    0.59066800
 C                 -5.08526800   -1.59951800    3.65314500
 H                 -5.20018800   -2.68706800    3.65253100
 H                 -4.14236900   -1.36551800    4.15336300
 H                 -5.89495400   -1.17515600    4.25519700
 C                 -3.44000700   -4.28008200   -1.40873600
 C                 -4.93988600   -4.44989400   -1.71076900
 H                 -5.07439000   -5.19730600   -2.49723400
 H                 -5.50002600   -4.79534200   -0.83771200
 H                 -5.39592300   -3.52057800   -2.06272100
 C                 -2.89056200   -5.64519100   -0.93460800
 H                 -1.81393500   -5.61106200   -0.75230700
 H                 -3.37377800   -5.96107000   -0.00607900
 H                 -3.07426100   -6.41566400   -1.69001100
 C                 -2.73617900   -3.88030300   -2.72422800
 H                 -3.08926100   -2.91038300   -3.08462200
 H                 -1.65195900   -3.81915400   -2.60729900
 H                 -2.93645900   -4.62163000   -3.50385700
 H                  3.75509300    0.73857100    2.20650700
 H                  3.45454000   -2.46552900   -0.58768800
 H                 -1.02873900   -3.44811900   -0.39961700
 H                 -2.42345700   -0.71283000    2.55674600

86
[Ni(P(OPh)2ArPh2)(DVDS)]
 Ni                 1.35106000   -0.57212600   -0.40780100
 P                 -0.70188500   -0.14185000    0.04442900
 Si                 4.15011700    0.96832300   -1.25822800
 Si                 4.33076000   -1.11151100    0.99069700
 O                  4.88269200    0.04619500   -0.07625200
 C                 -2.07516100   -0.28704700   -1.21529400
 C                 -2.87377000    0.78102300   -1.69653700
 C                 -4.01535600    0.48741100   -2.45635100
 H                 -4.62069100    1.31306000   -2.81448700
 C                 -4.36369000   -0.81529600   -2.77775500
 H                 -5.25516000   -1.01522000   -3.36336400
 C                 -3.53545400   -1.85459700   -2.38193700
 H                 -3.75677100   -2.87446600   -2.67726400
 C                 -2.38681400   -1.60995800   -1.62322300
 C                 -2.60078700    2.24719600   -1.54555700
 C                 -3.46844400    3.06446600   -0.81215900
 H                 -4.28195000    2.61223300   -0.25383800
 C                 -3.29713700    4.44625700   -0.78782700
 H                 -3.97440800    5.06204900   -0.20453100
 C                 -2.26571800    5.03765100   -1.51523100
 H                 -2.13765500    6.11527600   -1.50531400
 C                 -1.40682300    4.23463800   -2.26314300
 H                 -0.60884900    4.68460000   -2.84547800
 C                 -1.57348700    2.85131500   -2.27763800
 H                 -0.91326200    2.23708900   -2.87873900
 C                 -1.52729000   -2.80514700   -1.34616000
 C                 -0.30230300   -2.95750400   -2.00808500
 H                  0.04791000   -2.17359800   -2.67022400
 C                  0.44573400   -4.12369100   -1.86097400
 H                  1.38736900   -4.22731700   -2.39018100
 C                 -0.01586600   -5.15338400   -1.04516800
 H                  0.56788300   -6.06063000   -0.92814800
 C                 -1.23647000   -5.01462600   -0.38596800
 H                 -1.60676700   -5.81501700    0.24694000
 C                 -1.98992500   -3.85401600   -0.54230200
 H                 -2.94146500   -3.75323100   -0.03215000
 C                  1.33581700    0.69278400   -1.94737100
 H                  1.19592400    1.72316000   -1.62835000
 H                  0.63979000    0.37831300   -2.72396400
 C                  2.60412600    0.09105200   -1.84895600
 H                  2.78571300   -0.75735500   -2.51332700
 C                  3.74469500    2.66786400   -0.56082800
 H                  2.99431000    2.62452400    0.23345200
 H                  3.36954900    3.34670800   -1.33327000
 H                  4.64338400    3.12435100   -0.13449600
 C                  5.38248200    1.13477100   -2.67020700
 H                  6.31438400    1.59459300   -2.32726000
 H                  4.98284500    1.75451100   -3.47906700
 H                  5.63765000    0.15968500   -3.09595700
 C                  4.06331000   -0.32122900    2.67747200
 H                  4.98794600    0.15231100    3.02197600
 H                  3.77455000   -1.06103000    3.43087900
 H                  3.29097600    0.45269300    2.65726300
 C                  5.66439400   -2.43311000    1.11357800
 H                  5.84482000   -2.91115400    0.14599700
 H                  5.38419500   -3.21788300    1.82321200
 H                  6.61428900   -2.00481700    1.44776300
 C                  2.74943800   -1.86626900    0.32797600
 H                  2.89050800   -2.60708300   -0.46218100
 C                  1.54473300   -1.94589100    1.03525700
 H                  1.45890400   -1.49421300    2.01993200
 H                  0.84228900   -2.75467100    0.85927900
 O                 -1.32219400   -1.06798900    1.28496100
 O                 -1.02424500    1.39965000    0.57154600
 C                 -0.25397400    2.08034900    1.50414100
 C                  0.18207000    1.47801700    2.68382800
 C                  0.00822300    3.42556300    1.25321000
 C                  0.89986200    2.23437800    3.60948300
 H                 -0.05101300    0.43985800    2.88224800
 C                  0.72166700    4.16930900    2.18888300
 H                 -0.35434800    3.87103200    0.33535800
 C                  1.17346600    3.57826700    3.36804500
 H                  1.23903300    1.76539700    4.52728900
 H                  0.92643800    5.21660400    1.99131400
 H                  1.73103500    4.16102100    4.09347500
 C                 -2.57114200   -1.10932900    1.87895400
 C                 -2.87351500   -2.28922400    2.56202400
 C                 -3.47695500   -0.04860400    1.87234000
 C                 -4.09073900   -2.41468800    3.22333500
 H                 -2.14155100   -3.08832000    2.56784600
 C                 -4.69554500   -0.19101500    2.53570500
 H                 -3.22687000    0.87873900    1.37701300
 C                 -5.01164400   -1.36764600    3.20880700
 H                 -4.31758800   -3.33372400    3.75447400
 H                 -5.39811700    0.63643300    2.53058500
 H                 -5.96099700   -1.46569800    3.72449800


