| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #64 | Ru5 | Ru(2) | {"N": 4} |
{"N": 1} |
0.00 | {"N": 15} |
0.00 | +0.00 | = | сравнить 3D |
| #65 | Ru6 | Ru(2) | {"N": 2} |
C:6(eta) |
0.00 | {"N": 11} |
0.00 | +0.00 | = | сравнить 3D |
| #71 | 2 | Ru(2) | {"O": 4} |
{"O": 2} |
0.50 | {"O": 6, "N": 8} |
0.50 | +0.00 | = | сравнить 3D |
| #72 | [Ru(DIP)2(mal)](PF6),[Ru(DIP)2(mlt)](PF6) | Ru(2) | {"O": 2} |
{"N": 4} |
0.00 | {"O": 6, "N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #82 | [Ru(DIP)2(5-OHF)](PF6) | Ru(2) | {"O": 2} |
{"N": 4} |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #100 | 3 | Ru(2) | {"O": 1, "N": 2} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #118 | 3 | Ru(2) | {"P": 2} |
C:6(eta) |
0.00 | {"O": 2, "P": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #119 | 4 | Ru(2) | {"P": 2} |
C:6(eta) |
0.00 | {"O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #120 | 5 | Ru(2) | {"P": 2} |
C:6(eta) |
0.00 | {"P": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #124 | 8,3e | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #125 | 9,3d | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #126 | 10,3g | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #127 | 11 | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #128 | 12 | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #129 | 13,3c,1aCym | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #130 | 14,3f,3d | Ru(2) | {"O": 2} |
C:6(eta) |
0.00 | {"O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #134 | Ru4,Ru2 | Ru(2) | {"N": 2, "Cl": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #135 | Ru6 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #149 | GA105 | Ru(2) | {"O": 2, "P": 2} |
C:6(eta) |
0.00 | {"P": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #151 | RuL2 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"O": 1, "N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #152 | RuL3,RAWQ03 | Ru(2) | {"Cl": 1, "N": 2} |
C:6(eta) |
0.00 | {"N": 3} |
0.00 | +0.00 | = | сравнить 3D |
| #159 | Ru1 | Ru(2) | {"S": 1} |
C:6(eta) |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #160 | Ru2 | Ru(2) | {"S": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #161 | Ru3 | Ru(2) | {"S": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #162 | Ru4 | Ru(2) | {"S": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #163 | Ru5 | Ru(2) | {"S": 1} |
{"N": 1} |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #164 | Ru6 | Ru(2) | {"S": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #167 | Complex 1,11a | Ru(2) | {"Cl": 1, "N": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #168 | Complex 2,11m | Ru(2) | {"Cl": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #169 | Complex 3 | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #170 | 4a | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #171 | 4b | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #172 | 4c | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #173 | 4d | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 4} |
0.00 | +0.00 | = | сравнить 3D |
| #176 | 4g | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"O": 1, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #177 | 4h | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #180 | 4k | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #181 | 4l | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #184 | 4o | Ru(2) | {"N": 3, "O": 4} |
C:6(eta) |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #185 | 4p | Ru(2) | {"N": 2, "O": 2} |
C:6(eta) |
0.00 | {"O": 1, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #187 | 4r | Ru(2) | {"N": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #191 | [2c]Cl | Ru(2) | {"Cl": 1} |
{"N": 2} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #193 | [6c] | Ru(2) | {"Cl": 1, "N": 1} |
C:6(eta) |
0.00 | {"N": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #194 | [7c] | Ru(2) | {"Cl": 1, "N": 1} |
C:6(eta) |
0.00 | C:6(eta) |
0.00 | +0.00 | = | сравнить 3D |
| #195 | 1 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #215 | 12 | Ru(2) | {"O": 2} |
{"N": 1} |
0.00 | {"N": 10} |
0.00 | +0.00 | = | сравнить 3D |
| #222 | 1 | Ru(2) | {"O": 1, "N": 1} |
{"O": 1} |
0.00 | {"O": 1} |
0.00 | +0.00 | = | сравнить 3D |
| #224 | 3 | Ru(2) | {"O": 1, "N": 1} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #225 | 4 | Ru(2) | {"O": 1} |
C:6(eta) |
0.00 | {"N": 2, "O": 2} |
0.00 | +0.00 | = | сравнить 3D |
| #237 | [(η6-p-cym)Ru(tmtp)Cl2] (1) | Ru(2) | {"Cl": 2} |
{"N": 1} |
0.00 | {"N": 2} |
0.00 | +0.00 | = | сравнить 3D |