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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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Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#4458
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C/c1cccnc1)c1ccccc1O.[Cl-].[Cl-]
4 meas.
MOL
3D
#4457
Ru(2)
donors: {"N": 2}
Nc1ccccc1C(=O)/C=C/c1cccnc1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#4456
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccccc1C(=O)/C=C/c1cccnc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4455
Ru(2)
donors: {"N": 4}
CNc1snc(N2CCOCC2)c1C#N.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4454
Ru(2)
donors: {"N": 5}
CNc1snc(N2CCN(C)CC2)c1C#N.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4453
Ru(2)
donors: {"N": 4}
CNc1snc(N2CCCC2)c1C#N.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4452
Ru(2)
donors: {"N": 2, "P": 2}
CC(=O)OCC[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#4451
Ru(2)
donors: {"O": 2, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])[C@@H]1CCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
2 meas.
MOL
3D
#4450
Ru(2)
donors: {"O": 2, "N": 2}
Cc1ccccc1.O=C([O-])[C@@H]1CCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
2 meas.
MOL
3D
#4449
Ru(3)
donors: {"N": 2, "O": 3}
CC(C)[C@H](/N=C/c1cccc(O)c1O)C(=O)[O-].CC(C)[C@H](/N=C/c1cccc(O)c1[O-])C(=O)[O-].O
1 meas.
MOL
3D
#4448
Ru(2)
donors: {"N": 6}
CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)cc...
4 meas.
MOL
3D
#4447
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2cc[nH]n2)nc1
1 meas.
MOL
3D
#4446
Ru(2)
donors: {"P": 2}
[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4445
Ru(2)
donors: {"N": 4, "O": 1}
C[N+]1=C(/C=C/c2cc(Cl)c3cccnc3c2[O-])C(C)(C)c2ccccc21.[I-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
1 meas.
MOL
3D
#4444
Ru(2)
donors: {"N": 3}
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4443
Ru(2)
donors: {"N": 3}
CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4442
Ru(2)
donors: {"N": 4}
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4441
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4440
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4439
Ru(2)
donors: {"N": 3}
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4438
Ru(2)
donors: {"S": 1, "O": 1}
CS(C)=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4437
Ru(2)
donors: {"N": 3, "O": 1}
CCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#4436
Ru(2)
donors: {"N": 1}
N.[Cl-].[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#4435
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.N.[Cl-].[Cl-]
1 meas.
MOL
3D
#4434
Ru(2)
donors: {"O": 1}
O=Cc1c2ccccc2cc2ccccc12.c1cc[cH-]c1
2 meas.
MOL
3D
#4433
Ru(2)
donors: {"O": 1}
O=C1c2ccccc2CCc2ccccc21.c1cc[cH-]c1
1 meas.
MOL
3D
#4432
Ru(2)
donors: {"O": 1}
O=Cc1ccc2ccccc2c1.c1cc[cH-]c1
2 meas.
MOL
3D
#4431
Ru(2)
donors: {"O": 1}
O=c1c2ccccc2ccc2ccccc12.c1cc[cH-]c1
1 meas.
MOL
3D
#4430
Ru(2)
donors: {"O": 1}
O=C1c2ccccc2-c2ccccc21.c1cc[cH-]c1
1 meas.
MOL
3D
#4429
Ru(2)
donors: {"N": 1}
c1cc[cH-]c1.c1ccc(-c2ccccn2)cc1
1 meas.
MOL
3D
#4428
Ru(2)
donors: {"S": 1, "O": 1, "N": 1, "P": 2}
CS(C)=O.N#[O+].[Cl-].[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4427
Ru(2)
donors: {"N": 2, "P": 2}
N#[O+].[Cl-].[Cl-].c1ccc(-c2ccncc2)cc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4426
Ru(2)
donors: {"N": 2, "P": 2}
Cc1ccncc1.N#[O+].[Cl-].[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4425
Ru(2)
donors: {"N": 2, "P": 2}
N#[O+].[Cl-].[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1
1 meas.
MOL
3D
#4424
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#4423
Ru(2)
donors: {"N": 2}
Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#4422
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#4421
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#4420
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4419
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4418
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.[Cl-].[Cl-]
4 meas.
MOL
3D
#4417
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl.[Cl-].[Cl-]
4 meas.
MOL
3D
#4416
Ru(2)
donors: {"N": 2}
CC(=N\c1ccc(C(C)(C)C)cc1)/C(C)=N/c1ccc(C(C)(C)C)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#4415
Ru(2)
donors: {"N": 2}
CCC(C)(Nc1ccc(C(C)(C)C)cc1)/C(C)=N/c1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4414
Ru(2)
donors: {"N": 2}
C/C(=N\c1ccc(C(C)(C)C)cc1)C(C)(C)Nc1ccc(C(C)(C)C)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4413
Ru(2)
donors: {"N": 2}
CCC(C)(Nc1ccc(C(C)(C)C)cc1)/C(C)=N/c1ccc(C(C)(C)C)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4412
Ru(2)
donors: {"N": 4}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4411
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc([P+](CCCCOc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4410
Ru(2)
donors: {"N": 5}
COc1ccc(-c2ccc3ccc4ccc(-c5ccc(C)cn5)nc4c3n2)cc1.Cc1c[c-]c(-c2ccc3ccc4ccc(-c5ccc(C)cc5)nc4c3n2)cc1
1 meas.
MOL
3D
#4409
Ru(2)
donors: {"N": 5}
COc1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
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53/142 (7058 total)