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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Os
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Ox. State
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#358
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
O=C[c-]1cccc1.OCc1ccnc(-c2cc(CO)ccn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#357
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.OC[c-]1cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
18 meas.
MOL
3D
#356
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.O=C[c-]1cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
18 meas.
MOL
3D
#355
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
OC[c-]1cccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#354
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
O=C[c-]1cccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#353
Ru(2)
donors: {"N": 2, "P": 1}
C[c-]1cccc1.OCc1ccnc(-c2cc(CO)ccn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#352
Ru(2)
donors: {"N": 2, "P": 1}
C[c-]1cccc1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#351
Ru(2)
donors: {"N": 2, "P": 1}
C[c-]1cccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#350
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1.[Cl-]
2 meas.
MOL
3D
#349
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#348
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1
2 meas.
MOL
3D
#347
Ru(2)
donors: {"O": 1, "P": 4}
O=C([O-])c1ccc(O)cc1O.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#346
Ru(2)
donors: {"N": 1, "O": 1, "P": 4}
Nc1ccc(C(=O)[O-])c(O)c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#345
Ru(2)
donors: {"O": 1, "P": 4}
O=C([O-])c1ccccc1O.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#344
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])c1ccc(O)cc1O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#343
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Nc1ccc(C(=O)[O-])c(O)c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#342
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])c1ccccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#341
Ru(2)
donors: {"N": 6}
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc...
7 meas.
MOL
3D
#340
Ru(2)
donors: {"N": 6}
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#339
Ru(2)
donors: {"N": 6}
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#338
Ru(2)
donors: {"O": 1, "N": 4}
CC1=CC(=O)c2c([O-])cccc2C1=O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
7 meas.
MOL
3D
#337
Ru(2)
donors: {"O": 1, "N": 4}
CC1=CC(=O)c2c([O-])cccc2C1=O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#336
Ru(2)
donors: {"O": 1, "N": 4}
CC1=CC(=O)c2c([O-])cccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#335
Ru(2)
donors: {"O": 3, "S": 2}
CC1=CC(=O)c2c([O-])cccc2C1=O.CS(C)=O.CS(C)=O.[Cl-]
7 meas.
MOL
3D
#334
Ru(2)
donors: {"N": 4}
[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
38 meas.
MOL
3D
#333
Ru(2)
donors: {"N": 4}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
54 meas.
MOL
3D
#332
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc...
21 meas.
MOL
3D
#331
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
18 meas.
MOL
3D
#330
Ru(2)
donors: {"N": 6}
c1ccc(-c2cc(-n3cc(COc4nc5ccccc5s4)nn3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#329
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-]
3 meas.
MOL
3D
#328
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-]
3 meas.
MOL
3D
#327
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-]
3 meas.
MOL
3D
#326
Ru(2)
donors: {"N": 4}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#325
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-]
3 meas.
MOL
3D
#324
Ru(2)
donors: {"N": 5}
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#323
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-]
3 meas.
MOL
3D
#322
Ru(2)
donors: {"N": 4}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#321
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
3 meas.
MOL
3D
#320
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=[N+](O)c1ccc([O-])c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-]
3 meas.
MOL
3D
#319
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cccc1C(F)(F)F.[Cl-]
3 meas.
MOL
3D
#318
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccc(Br)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-]
3 meas.
MOL
3D
#317
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.[Cl-]
6 meas.
MOL
3D
#316
Ru(2)
donors: {"N": 4}
Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#315
Ru(2)
donors: {"N": 4}
COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#314
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-]
6 meas.
MOL
3D
#313
Ru(2)
donors: {"N": 6}
c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#312
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
4 meas.
MOL
3D
#311
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
5 meas.
MOL
3D
#310
Ru(2)
donors: {"N": 5, "P": 1}
CCC1=C(C)C2=C(c3ccc(C(=O)NCCNC(=O)c4ccc(P(=NC(=O)c5ccccn5)(c5ccccc5)c5ccccc5)cc4)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1...
3 meas.
MOL
3D
#309
Ru(2)
donors: {"P": 1, "N": 3}
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N+]2=C1C.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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135/142 (7058 total)