62
Compound [2]+
Ru      -1.091233000      1.368656000     -0.575706000
Ru      -0.576688000     -0.831813000      0.997955000
O       -0.593288000      0.616872000     -3.449024000
O       -3.433191000     -0.413202000     -0.310712000
H       -3.758497000      0.437827000      0.003150000
C       -0.779317000      0.882509000     -2.354315000
C       -2.100535000     -0.361669000     -0.496767000
C       -1.533883000     -1.639000000     -0.834411000
C       -0.123910000     -1.833429000     -0.902272000
H        0.182331000     -2.871262000     -1.060353000
C        0.941901000     -0.920854000     -0.617548000
C        0.686485000      0.423771000     -0.209011000
C       -2.401154000     -2.845868000     -1.075095000
C       -3.371104000     -2.717253000     -2.221587000
H       -3.892378000     -3.668253000     -2.397488000
H       -2.838358000     -2.437251000     -3.145177000
H       -4.116786000     -1.934639000     -2.023340000
C       -2.242344000     -3.981454000     -0.389820000
H       -2.838798000     -4.867154000     -0.627903000
H       -1.510314000     -4.074082000      0.417971000
C        2.320891000     -1.513880000     -0.671990000
C        2.746333000     -2.067015000     -1.885776000
H        2.072549000     -2.061855000     -2.748476000
C        4.023740000     -2.612503000     -2.008644000
H        4.342352000     -3.036731000     -2.964515000
C        4.888910000     -2.616126000     -0.915909000
H        5.889749000     -3.046100000     -1.009244000
C        4.470412000     -2.070729000      0.298215000
H        5.141854000     -2.073311000      1.160967000
C        3.195883000     -1.521006000      0.419436000
H        2.880946000     -1.090623000      1.372120000
C        1.856258000      1.304103000      0.101464000
C        2.696788000      1.686118000     -0.954955000
H        2.503573000      1.305383000     -1.963008000
C        3.769121000      2.546868000     -0.735846000
H        4.410404000      2.836227000     -1.572901000
C        4.027197000      3.035717000      0.546008000
H        4.869471000      3.710780000      0.719072000
C        3.203228000      2.655121000      1.603611000
H        3.397428000      3.027389000      2.613134000
C        2.124537000      1.798606000      1.381532000
H        1.485292000      1.509256000      2.217857000
C       -0.475601000      3.544830000     -0.233023000
H        0.549646000      3.888898000     -0.368245000
C       -1.480105000      3.482176000     -1.238573000
H       -1.362980000      3.802440000     -2.274534000
C       -2.688149000      2.984460000     -0.653606000
H       -3.644414000      2.872194000     -1.164620000
C       -2.409533000      2.696004000      0.707454000
H       -3.118943000      2.332001000      1.452338000
C       -1.040233000      3.037791000      0.964579000
H       -0.533177000      2.966435000      1.925691000
C       -0.586473000     -0.058116000      3.050270000
H       -0.448259000      0.984373000      3.334081000
C        0.432806000     -1.048147000      2.953011000
H        1.497319000     -0.888598000      3.125026000
C       -0.181115000     -2.287809000      2.601065000
H        0.332884000     -3.237248000      2.449984000
C       -1.586807000     -2.064794000      2.505152000
H       -2.339812000     -2.807719000      2.242219000
C       -1.840010000     -0.688533000      2.768581000
H       -2.818003000     -0.208168000      2.777756000
61
Compound 5-is1
Ru      -1.113623000      1.350873000     -0.604193000
Ru      -0.542745000     -0.834835000      1.006399000
O       -0.527419000      0.644718000     -3.456589000
O       -3.439689000     -0.346100000     -0.586235000
C       -0.750426000      0.896875000     -2.356648000
C       -2.207482000     -0.368298000     -0.664438000
C       -1.502018000     -1.662067000     -0.825597000
C       -0.095846000     -1.828170000     -0.896287000
H        0.234127000     -2.863193000     -1.030558000
C        0.959207000     -0.897355000     -0.609799000
C        0.674438000      0.435805000     -0.190567000
C       -2.325886000     -2.908224000     -1.016576000
C       -3.257760000     -2.878451000     -2.201030000
H       -3.767531000     -3.844045000     -2.329450000
H       -2.696333000     -2.655347000     -3.123757000
H       -4.005471000     -2.083941000     -2.072961000
C       -2.177215000     -4.001427000     -0.261446000
H       -2.744953000     -4.913066000     -0.473531000
H       -1.479884000     -4.030830000      0.580666000
C        2.348590000     -1.464501000     -0.676147000
C        2.787984000     -1.994180000     -1.895965000
H        2.114167000     -1.986231000     -2.758761000
C        4.072469000     -2.522204000     -2.024625000
H        4.398094000     -2.929466000     -2.985834000
C        4.936580000     -2.530529000     -0.930770000
H        5.943054000     -2.946824000     -1.027816000
C        4.507465000     -2.007212000      0.289468000
H        5.177051000     -2.013309000      1.154044000
C        3.224455000     -1.477494000      0.415492000
H        2.897835000     -1.067378000      1.373298000
C        1.830607000      1.335946000      0.118922000
C        2.606950000      1.811471000     -0.949358000
H        2.365365000      1.494297000     -1.969253000
C        3.672647000      2.681134000     -0.730699000
H        4.262005000      3.039234000     -1.579718000
C        3.989165000      3.093269000      0.565050000
H        4.825074000      3.776369000      0.738929000
C        3.228409000      2.624031000      1.634683000
H        3.466709000      2.934996000      2.655923000
C        2.159356000      1.754921000      1.412374000
H        1.569213000      1.397045000      2.257403000
C       -0.671963000      3.435192000      0.319205000
H        0.327495000      3.738773000      0.630225000
C       -1.224862000      3.589641000     -0.972123000
H       -0.741753000      4.073398000     -1.821657000
C       -2.559412000      3.042364000     -0.958501000
H       -3.262011000      3.042343000     -1.791518000
C       -2.804750000      2.544842000      0.342693000
H       -3.709668000      2.032642000      0.666710000
C       -1.633120000      2.762351000      1.129897000
H       -1.517818000      2.516253000      2.184579000
C       -0.486422000     -0.071600000      3.042122000
H       -0.225179000      0.944750000      3.334369000
C        0.408497000     -1.179712000      2.939429000
H        1.483312000     -1.154208000      3.119262000
C       -0.354399000     -2.338878000      2.596892000
H        0.039537000     -3.345871000      2.457618000
C       -1.722592000     -1.944389000      2.502242000
H       -2.557333000     -2.588115000      2.223638000
C       -1.808552000     -0.550825000      2.764559000
H       -2.722721000      0.043187000      2.758966000
61
Compound 5-is2
Ru      -1.044427000      1.394599000     -0.559069000
Ru      -0.599970000     -0.836792000      0.970594000
O       -0.575304000      0.610394000     -3.420559000
O       -3.427572000     -0.313490000     -0.300454000
H       -3.687669000      0.538645000      0.065368000
C       -0.753387000      0.889925000     -2.323917000
C       -2.083384000     -0.329962000     -0.491916000
C       -1.554829000     -1.612367000     -0.875313000
C       -0.162819000     -1.943181000     -0.985655000
C        0.876801000     -1.002172000     -0.651885000
C        0.690592000      0.351206000     -0.213594000
C       -2.544685000     -2.723338000     -1.146091000
C       -3.421512000     -2.495680000     -2.351972000
H       -4.074326000     -3.360097000     -2.542205000
H       -2.796405000     -2.332250000     -3.246309000
H       -4.047310000     -1.600516000     -2.224080000
C       -2.577875000     -3.864964000     -0.454398000
H       -3.271707000     -4.668499000     -0.722993000
H       -1.894197000     -4.045395000      0.379653000
C        2.272880000     -1.574448000     -0.686626000
C        2.778128000     -1.984019000     -1.927242000
H        2.139063000     -1.901461000     -2.812041000
C        4.068821000     -2.495948000     -2.043522000
H        4.444931000     -2.804656000     -3.023356000
C        4.877804000     -2.620383000     -0.912576000
H        5.889046000     -3.027714000     -0.999726000
C        4.381775000     -2.226385000      0.329091000
H        5.002424000     -2.325289000      1.224429000
C        3.091973000     -1.703831000      0.438501000
H        2.717828000     -1.392201000      1.415835000
C        1.882388000      1.200555000      0.101420000
C        2.715658000      1.599596000     -0.955435000
H        2.498921000      1.248593000     -1.969585000
C        3.807241000      2.434595000     -0.731324000
H        4.440986000      2.734430000     -1.570910000
C        4.095163000      2.884815000      0.558767000
H        4.952772000      3.539369000      0.736686000
C        3.279174000      2.489678000      1.617504000
H        3.494797000      2.831509000      2.633857000
C        2.182182000      1.657847000      1.389117000
H        1.546397000      1.359080000      2.225099000
C       -0.360764000      3.544010000     -0.133775000
H        0.676402000      3.856408000     -0.254253000
C       -1.362496000      3.546294000     -1.143583000
H       -1.231578000      3.897595000     -2.167746000
C       -2.588545000      3.070014000     -0.578104000
H       -3.547606000      3.007007000     -1.092213000
C       -2.322670000      2.725438000      0.772985000
H       -3.044112000      2.354500000      1.502921000
C       -0.944952000      3.011576000      1.043919000
H       -0.442083000      2.883592000      2.001341000
C       -0.622508000     -0.111148000      3.049870000
H       -0.490346000      0.927148000      3.352218000
C        0.403394000     -1.091256000      2.932073000
H        1.465035000     -0.928431000      3.117660000
C       -0.202361000     -2.327159000      2.550126000
H        0.316078000     -3.269497000      2.373078000
C       -1.608803000     -2.110396000      2.457546000
H       -2.355784000     -2.851612000      2.175754000
C       -1.871223000     -0.742461000      2.751747000
H       -2.852032000     -0.267698000      2.768098000
