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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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Rh
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Ox. State
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Donor atoms
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#408
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1.CS(C)=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#407
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(C)=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#406
Ru(3)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#405
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.CS(C)=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#404
Ru(3)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#403
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1C(=O)c2cccnc2-c2ncccc21.[Cl-]
6 meas.
MOL
3D
#402
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
24 meas.
MOL
3D
#401
Ru(2)
donors: {"N": 2}
O=C(O)c1cc2c(cn1)[nH]c1ccccc12.[Cl-].[Cl-].[Cl-].[Cl-]
6 meas.
MOL
3D
#400
Ru(2)
donors: {"N": 6}
O=C(O)c1cc2c(cn1)[nH]c1ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#399
Ru(2)
donors: {"N": 6}
c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#398
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(ccc3nccnc32)n1
9 meas.
MOL
3D
#397
Ru(2)
donors: {"N": 6}
CCCCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#396
Ru(2)
donors: {"N": 6}
CC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#395
Ru(2)
donors: {"N": 7}
CCCCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#394
Ru(2)
donors: {"N": 7}
CC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#393
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)ccc1cccnc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#392
Ru(2)
donors: {"N": 6}
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#391
Ru(2)
donors: {"N": 7}
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#390
Ru(2)
donors: {"N": 5, "P": 1}
Cn1c([NH-])c(/N=C/c2cccc(/C=N/c3c(N)n(C)c(=O)n(C)c3=O)n2)c(=O)n(C)c1=O.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#389
Ru(2)
donors: {"N": 4, "P": 2}
Cn1c([NH-])c(/N=C/c2ccsc2)c(=O)n(C)c1=O.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#388
Ru(3)
donors: {"N": 5, "O": 1, "P": 2}
O=c1[nH]cc(/C=N\N=C(/[O-])c2ccccn2)c(=O)[nH]1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#387
Ru(3)
donors: {"N": 4, "O": 1, "P": 2}
O=c1[nH]cc(/C=N\N=C(/[O-])c2cccs2)c(=O)[nH]1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#386
Ru(3)
donors: {"O": 1, "N": 4, "P": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1nc2ccccc2s1)c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#385
Ru(2)
donors: {"N": 8}
C(#Cc1cccs1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#384
Ru(2)
donors: {"N": 8}
C(=C/c1ccco1)\c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#383
Ru(2)
donors: {"N": 8}
C(=C/c1ccco1)\c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#382
Ru(2)
donors: {"N": 8}
C(=C/c1ccco1)\c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#381
Ru(2)
donors: {"O": 1, "P": 2, "N": 2}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#380
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
9 meas.
MOL
3D
#379
Ru(2)
donors: {"N": 2}
CNC(=O)c1cccc(N)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#378
Ru(2)
donors: {"N": 2}
CNC(=O)c1cccc(N)c1.Cc1ccccc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#377
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(C(N)=O)c(N)c1.[Cl-]
6 meas.
MOL
3D
#376
Ru(2)
donors: {"N": 2}
Cc1ccc(C(N)=O)c(N)c1.Cc1ccccc1.[Cl-]
6 meas.
MOL
3D
#375
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2)cc1.Cc1ccc(C(C)C)c...
3 meas.
MOL
3D
#374
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)c(OC)c2)cc1OC.Cc1ccc(C...
3 meas.
MOL
3D
#373
Ru(2)
donors: {"O": 1}
CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#372
Ru(2)
donors: {"O": 1}
CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)c(OC)c2)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#371
Ru(3)
donors: {"N": 3, "O": 1}
Cc1cc(C)nc(N=Cc2cc([N+](=O)[O-])ccc2Cl)n1.O.[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#370
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#369
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc(-c3ccccc3)[nH]c21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#368
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc(-c3ccccc3)[nH]c21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#367
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc[nH]c21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#366
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nccnc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#365
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nccnc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#364
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#363
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#362
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cc(O)cc2oc(-c3ccc(Cl)cc3)cc(=S)c12
2 meas.
MOL
3D
#361
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)cc([O-])c12.[Cl-]
2 meas.
MOL
3D
#360
Ru(2)
donors: {"N": 6, "O": 1, "P": 1}
O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OCc2ccnc(-c3cc(COC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccn3)c2)N1.O=C[c-]1cccc1.c1c...
2 meas.
MOL
3D
#359
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
OC[c-]1cccc1.OCc1ccnc(-c2cc(CO)ccn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
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134/142 (7058 total)