SketchEl!(5,4) Pt=0.0000,0.0000;0,0,i0 N=-1.5718,0.9075;0,0,i3 Cl=1.5718,-0.9075;0,0,i0 Cl=1.5718,0.9075;0,0,i0 N=-1.5718,-0.9075;0,0,i3 1-2=0,2 1-3=1,1 1-4=1,2 1-5=0,1 !End SketchEl!(8,8) B=-3.9143,0.4857;0,0,i0 H=-5.2133,1.2357;0,0,i0 H=-2.6152,-0.2643;0,0,i0 H=-5.2133,-0.2643;0,0,i0 H=-2.6152,1.2357;0,0,i0 B=-1.3162,0.4857;0,0,i0 H=-0.0172,-0.2643;0,0,i0 H=-0.0172,1.2357;0,0,i0 1-2=1,0 1-3=0,0 1-4=1,0 1-5=1,0 3-6=1,0 5-6=0,0 6-7=1,0 6-8=1,0 !End SketchEl!(17,18) Ni=0.0000,0.0000;0,0,i0 O=-1.1499,1.2990;0,0,i0 C=-2.6499,1.2991;0,0,i0 C=-3.4000,0.0003;0,0,i1 C=-2.6501,-1.2990;0,0,i0 O=-1.1501,-1.2991;0,0,i0 C=-3.4003,-2.5979;0,0,i3 C=-3.3997,2.5983;0,0,i3 O=1.1499,-1.2991;0,0,i0 C=2.6499,-1.2991;0,0,i0 C=3.4000,-0.0003;0,0,i1 C=2.6501,1.2990;0,0,i0 O=1.1501,1.2990;0,0,i0 C=3.4003,2.5979;0,0,i3 C=3.3997,-2.5983;0,0,i3 O=0.0001,2.4158;0,0,i2 O=-0.0001,-2.4158;0,0,i2 2-3=2,0 1-2=0,2 3-4=1,0 4-5=2,0 5-6=1,0 1-6=1,1 5-7=1,0 3-8=1,0 9-10=2,0 1-9=0,1 10-11=1,0 11-12=2,0 12-13=1,0 1-13=1,2 12-14=1,0 10-15=1,0 1-16=0,0 1-17=0,0 !End SketchEl!(16,26) Ge=7.9278,0.0827;0,0,i0 Fe=2.2441,-0.0912;0,0,i0,xARENE:2:1,xARENE:1:1 Cl=9.9207,1.4541;0,0,i0 Cl=10.1120,-0.9572;0,0,i0 S=6.7678,2.1707;0,0,i0 S=6.9998,-2.4692;0,0,i0 C=4.4136,2.1608;0,0,i0,xARENE:1:2 C=4.3555,-2.4791;0,0,i0,xARENE:2:2 C=3.6070,1.5826;0,0,i1,xARENE:1:3 C=2.2441,2.9726;0,0,i1,xARENE:1:6 C=3.4911,-3.3952;0,0,i1,xARENE:2:3 C=2.3021,-1.7832;0,0,i1,xARENE:2:6 C=0.9970,1.5826;0,0,i1,xARENE:1:4 C=0.1907,2.1608;0,0,i1,xARENE:1:5 C=0.8812,-3.3952;0,0,i1,xARENE:2:4 C=0.1327,-2.4791;0,0,i1,xARENE:2:5 1-3=1,2 1-4=1,1 5-7=1,0 6-8=1,0 7-9=1,0 7-10=1,0 8-11=1,0 8-12=1,0 9-13=2,0 10-14=2,0 11-15=2,0 12-16=2,0 13-14=1,0 15-16=1,0 1-5=1,0 1-6=1,0 2-10=0,0 2-11=0,0 2-12=0,0 2-13=0,0 2-14=0,0 2-15=0,0 2-16=0,0 2-7=1,0 2-8=1,0 2-9=0,0 !End SketchEl!(21,25) Fe=0.0000,0.0000;0,0,i0 O=-0.0000,3.8906;0,0,i0 O=0.0000,-3.8906;0,0,i0 N=-1.6990,1.2079;0,0,i0 O=1.7990,-0.9075;0,0,i1 O=1.7990,0.9075;0,0,i1 N=-1.6990,-1.2079;0,0,i0 C=0.7500,2.2500;0,0,i0 C=-0.7500,2.2500;0,0,i2 C=-0.7500,-2.2500;0,0,i2 C=0.7500,-2.2500;0,0,i0 C=-3.1990,0.7500;0,0,i2 C=-3.1990,-0.7500;0,0,i2 O=1.6092,3.4795;0,0,i0 O=1.6093,-3.4795;0,0,i0 C=-1.7490,3.5867;0,0,i0 C=-2.4223,2.6627;0,0,i2 C=-2.4223,-2.6627;0,0,i2 C=-1.7490,-3.5867;0,0,i0 O=-2.7096,4.7388;0,0,i0 O=-2.6635,-4.7757;0,0,i0 1-2=1,0 1-3=1,0 1-4=0,2 1-5=0,1 1-6=0,2 1-7=0,1 6-8=1,0 8-9=1,0 9-4=1,0 7-10=1,0 10-11=1,0 11-5=1,0 4-12=1,0 12-13=1,0 13-7=1,0 8-14=2,0 11-15=2,0 2-16=1,0 16-17=1,0 17-4=1,0 7-18=1,0 18-19=1,0 19-3=1,0 16-20=2,0 19-21=2,0 !End SketchEl!(20,24) Te=-6.8081,4.6658;0,0,i0 Cl=-6.8081,-0.0419;0,0,i0 Te=-2.1005,-0.0419;0,0,i0 Cl=-2.1005,4.6658;0,0,i0 Cl=-4.3005,6.3919;0,0,i0 Te=0.4071,6.3919;0,0,i0 Cl=0.4071,1.6842;0,0,i0 Te=-4.3005,1.6842;0,0,i0 Cl=0.4408,8.3881;0,0,i0 Cl=2.4036,6.3919;0,0,i0 Cl=-6.7898,6.6622;0,0,i0 Cl=-8.8046,4.6658;0,0,i0 Cl=-2.1005,-2.0384;0,0,i0 Cl=-6.2970,1.6842;0,0,i0 Cl=-4.3106,0.1546;0,0,i0 Cl=-2.6559,2.8162;0,0,i0 Cl=-8.4535,3.5349;0,0,i0 Cl=2.0517,7.5239;0,0,i0 Cl=-3.7458,-1.1727;0,0,i0 Cl=-0.1040,-0.0419;0,0,i0 1-2=0,0 2-3=0,0 3-4=0,0 1-4=0,0 1-5=1,2 6-4=1,1 3-7=1,2 8-2=1,1 8-5=0,0 5-6=0,0 6-7=0,0 7-8=0,0 6-9=1,0 6-10=1,0 1-11=1,0 1-12=1,0 3-13=1,0 8-14=1,0 8-15=1,0 8-16=1,2 1-17=1,1 6-18=1,2 3-19=1,1 3-20=1,0 !End SketchEl!(16,15) Co=1.7564,-0.1185;3,0,i0,z0 N=-1.0620,0.2283;0,0,i2,z0 N=0.0241,-1.2398;0,0,i2,z0 N=1.7564,2.9566;0,0,i2,z0 N=3.3604,1.0236;0,0,i2,z0 N=4.5516,-0.4469;0,0,i2,z0 N=1.7564,-3.1729;0,0,i2,z0 C=-2.9948,-0.4829;0,0,i2,z0 C=-2.1223,-1.1272;0,0,i2,z0 C=3.2840,4.3480;0,0,i2,z0 C=4.0562,2.9566;0,0,i2,z0 C=5.7688,-2.5339;0,0,i2,z0 C=4.0974,-4.1406;0,0,i2,z0 Cl=8.5404,2.4153;-1,0,i0,z0 Cl=8.5670,0.5229;-1,0,i0,z0 Cl=8.5731,-1.4040;-1,0,i0,z0 1-2=0,2 1-3=0,1 1-4=0,0 1-5=0,2 1-6=0,1 1-7=0,0 2-8=1,0 3-9=1,0 4-10=1,0 5-11=1,0 6-12=1,0 7-13=1,0 8-9=1,0 10-11=1,0 12-13=1,0 !End SketchEl!(17,20) Sn=0.0000,0.0000;0,0,i0 H=1.9019,1.0981;0,0,i0 N=-0.0000,-2.1961;0,0,i0 H=1.9019,-1.0981;0,0,i0 N=-0.0000,2.1962;0,0,i0 C=-1.4489,-2.5844;0,0,i0 C=-1.8371,-4.0333;0,0,i1 C=-0.7765,-5.0939;0,0,i1 C=0.6724,-4.7057;0,0,i1 C=1.0607,-3.2568;0,0,i1 C=1.0607,3.2568;0,0,i1 C=0.6724,4.7057;0,0,i1 C=-0.7765,5.0939;0,0,i1 C=-1.8371,4.0333;0,0,i1 C=-1.4489,2.5844;0,0,i0 O=-2.5095,1.5237;0,0,i0 O=-2.5095,-1.5237;0,0,i0 1-2=1,2 1-3=0,0 1-4=1,1 1-5=0,0 3-6=2,0 6-7=1,0 7-8=2,0 8-9=1,0 9-10=2,0 10-3=1,0 5-11=2,0 11-12=1,0 12-13=2,0 13-14=1,0 14-15=2,0 15-5=1,0 15-16=1,0 6-17=1,0 1-16=1,2 1-17=1,1 !End SketchEl!(14,16) C=-5.0691,3.3250;0,0,i0 O=-3.5160,1.7719;0,0,i0 Rh=-1.9631,3.3250;0,0,i0 O=-3.5160,4.8781;0,0,i0 O=-0.4103,1.7719;0,0,i0 Rh=1.1426,3.3250;0,0,i0 O=-0.4103,4.8781;0,0,i0 O=2.6957,1.7719;0,0,i0 C=4.2483,3.3250;0,0,i0 O=2.6957,4.8781;0,0,i0 C=-6.5691,3.3250;0,0,i3 C=5.7483,3.3250;0,0,i3 C=-0.4103,0.2719;0,0,i3 C=-0.4103,6.3781;0,0,i3 1-2=1,0 3-2=1,1 3-4=0,2 4-1=2,0 3-5=0,1 6-5=1,1 6-7=0,2 3-7=1,2 6-8=0,1 8-9=2,0 9-10=1,0 6-10=1,2 1-11=1,0 9-12=1,0 5-13=1,0 7-14=1,0 !End SketchEl!(28,28) Ni=1.1000,0.0000;-1,0,i0 N=2.5606,1.4607;0,0,i0 N=-0.3117,-1.4119;0,0,i0 N=2.5607,-1.4606;0,0,i0 N=4.0606,1.4607;1,0,i0 N=5.5606,1.4607;0,0,i0 Ni=7.0213,0.0001;-1,0,i0 N=8.4331,-1.4116;0,0,i0 N=5.5607,-1.4606;0,0,i0 N=4.0607,-1.4605;1,0,i0 N=-1.3723,-2.4726;1,0,i0 N=-2.4329,-3.5333;-1,0,i0 N=9.4938,-2.4722;1,0,i0 N=10.5545,-3.5328;-1,0,i0 P=8.4330,1.4120;0,0,i0 C=7.3723,2.4726;0,0,i2 C=9.4936,2.4727;0,0,i2 C=9.4937,0.3514;0,0,i2 P=-0.3119,1.4119;0,0,i0 C=-1.3725,0.3512;0,0,i2 C=-1.3725,2.4725;0,0,i2 C=0.7488,2.4725;0,0,i2 C=10.9426,0.7397;0,0,i3 C=7.7605,3.9215;0,0,i3 C=0.3606,3.9214;0,0,i3 C=-2.8214,0.7394;0,0,i3 C=-2.8214,2.0843;0,0,i3 C=10.9425,2.0845;0,0,i3 1-2=1,2 1-3=1,1 1-4=1,1 2-5=2,0 5-6=2,0 7-6=1,2 7-8=1,1 7-9=1,1 4-10=2,0 10-9=2,0 3-11=2,0 11-12=2,0 8-13=2,0 13-14=2,0 15-16=1,0 15-17=1,0 15-18=1,0 7-15=0,2 19-20=1,0 19-21=1,0 19-22=1,0 1-19=0,2 18-23=1,0 16-24=1,0 22-25=1,0 20-26=1,0 21-27=1,0 17-28=1,0 !End SketchEl!(24,24) Ni=1.0000,0.0000;0,0,i0 N=-0.7290,-0.9983;0,0,i3 N=2.7990,0.7500;0,0,i0 N=1.0000,-1.9965;0,0,i3 N=1.0000,1.9965;0,0,i3 N=-0.7290,0.9983;0,0,i3 N=2.7990,-0.7500;0,0,i0 C=4.0980,1.5000;0,0,i0 C=5.3970,2.2500;0,0,i1 C=4.0980,-1.5000;0,0,i0 C=5.3970,-2.2500;0,0,i1 C=5.3970,3.7500;0,0,i0 C=6.6960,1.5000;0,0,i0 N=5.3970,5.2500;0,0,i0 C=5.3970,-3.7500;0,0,i0 C=6.6960,-1.5000;0,0,i0 N=5.3970,-5.2500;0,0,i0 N=7.9950,0.7500;0,0,i0 N=7.9950,-0.7500;0,0,i0 Ni=9.7940,0.0000;0,0,i0 N=11.5230,-0.9983;0,0,i3 N=11.5230,0.9983;0,0,i3 N=9.7940,-1.9965;0,0,i3 N=9.7940,1.9965;0,0,i3 1-2=0,1 1-3=0,2 1-4=0,0 1-5=0,0 1-6=0,2 1-7=0,1 3-8=3,0 8-9=1,0 7-10=3,0 10-11=1,0 9-12=1,0 9-13=1,0 12-14=3,0 11-15=1,0 11-16=1,0 15-17=3,0 13-18=3,0 16-19=3,0 20-18=0,2 20-19=0,1 20-21=0,1 20-22=0,2 20-23=0,0 20-24=0,0 !End SketchEl!(16,17) Mo=1.3000,0.0000;0,0,i0 O=2.8817,-1.2135;0,0,i0 C=4.3083,-0.7500;0,0,i0 C=4.3083,0.7500;0,0,i0 O=2.8817,1.2135;0,0,i0 O=5.7349,-1.2135;0,0,i0 Mo=7.3166,0.0000;0,0,i0 O=5.7349,1.2135;0,0,i0 Cl=1.3000,1.5000;0,0,i0 Cl=1.3000,-1.5000;0,0,i0 Cl=7.3166,-1.5000;0,0,i0 Cl=7.3166,1.5000;0,0,i0 O=-0.4290,0.9983;0,0,i0 O=-0.4290,-0.9983;0,0,i0 O=9.0456,-0.9983;0,0,i0 O=9.0456,0.9983;0,0,i0 1-2=1,1 2-3=1,0 3-4=1,0 4-5=2,0 1-5=0,2 3-6=2,0 7-6=0,1 7-8=1,2 8-4=1,0 1-9=1,0 1-10=1,0 7-11=1,0 7-12=1,0 1-13=2,2 1-14=2,1 7-15=2,1 7-16=2,2 !End SketchEl!(15,16) Ni=1.5000,0.0000;0,0,i0 N=1.5000,2.6574;0,0,i0 N=1.5000,-2.6574;0,0,i0 N=2.8817,-1.2135;0,0,i2 C=4.3083,-0.7500;0,0,i2 C=4.3083,0.7500;0,0,i2 N=2.8817,1.2135;0,0,i2 N=0.1183,1.2135;0,0,i2 C=-1.3083,0.7500;0,0,i2 C=-1.3083,-0.7500;0,0,i2 N=0.1183,-1.2135;0,0,i2 C=2.7990,3.4074;0,0,i0 C=0.2010,-3.4074;0,0,i0 S=4.0980,4.1574;0,0,i0 S=-1.0980,-4.1574;0,0,i0 1-2=1,0 1-3=1,0 1-4=0,1 4-5=1,0 5-6=1,0 6-7=1,0 1-7=0,2 1-8=0,2 8-9=1,0 9-10=1,0 10-11=1,0 1-11=0,1 2-12=2,0 3-13=2,0 12-14=2,0 13-15=2,0 !End SketchEl!(11,12) Co=0.0000,0.0000;1,0,i0 Cl=-0.0000,1.5000;0,0,i0 Cl=0.0000,-1.5000;0,0,i0 N=-1.3817,1.2135;0,0,i2 C=-2.8083,0.7500;0,0,i2 C=-2.8083,-0.7500;0,0,i2 N=-1.3817,-1.2135;0,0,i2 N=1.3817,-1.2135;0,0,i2 C=2.8083,-0.7500;0,0,i2 C=2.8083,0.7500;0,0,i2 N=1.3817,1.2135;0,0,i2 1-2=1,0 1-3=1,0 1-4=0,2 4-5=1,0 5-6=1,0 6-7=1,0 1-7=0,1 1-8=0,1 8-9=1,0 9-10=1,0 10-11=1,0 1-11=0,2 !End SketchEl!(12,12) Mo=-1.8087,-0.3481;0,0,i0 O=-1.8087,1.8481;0,0,i0 O=-1.8087,-2.5442;0,0,i2 O=-3.7106,0.7500;0,0,i2 O=0.0933,-1.4462;0,0,i0 O=0.0933,0.7500;0,0,i0 O=-3.7106,-1.4462;0,0,i2 Mo=1.9952,-0.3481;0,0,i0 O=3.8971,-1.4461;0,0,i2 O=3.8971,0.7500;0,0,i2 O=1.9952,-2.5442;0,0,i2 O=1.9952,1.8481;0,0,i0 1-2=2,0 1-3=0,0 1-4=0,2 1-5=1,1 1-6=1,2 1-7=0,1 8-6=1,2 8-5=1,1 8-9=0,1 8-10=0,2 8-11=0,0 8-12=2,0 !End

Coordination InChI Demo

For details about the coordination layer algorithm, see GitHub.