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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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#3458
Ru(2)
donors: {"N": 3}
COc1ccc2[nH]c(-c3cccc(Br)n3)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3457
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc2nc(-c3cccc(Br)n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3456
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc2[nH]c(-c3cccc(Br)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3455
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1cc2nc(-c3cccc(Br)n3)[nH]c2cc1Cl.[Cl-]
3 meas.
MOL
3D
#3454
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1cc2[nH]c(-c3cccc(Br)n3)nc2cc1Cl.[Cl-]
3 meas.
MOL
3D
#3453
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc2nc(-c3cccc(Br)n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3452
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc2[nH]c(-c3cccc(Br)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3451
Ru(2)
donors: {"N": 3}
Brc1cccc(-c2nc3ccccc3[nH]2)n1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3450
Ru(2)
donors: {"S": 2, "N": 4, "P": 2}
[S-]c1ncccn1.[S-]c1ncccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3449
Ru(2)
donors: {"S": 2, "N": 4, "P": 2}
[S-]c1ncccn1.[S-]c1ncccn1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3448
Ru(2)
donors: {"S": 1, "N": 2, "P": 4}
[S-]c1ncccn1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3447
Ru(2)
donors: {"S": 1, "N": 2, "P": 4}
[S-]c1ncccn1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3446
Ru(2)
donors: {"N": 2, "P": 1}
COC(=O)c1ccc(-n2ccnc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3445
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(CC([O-])=NN=Cc2ccc3ccc4cccc5ccc2c3c45)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3444
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]C(Cc1ccc(Br)cc1)=NN=Cc1ccc2ccc3cccc4ccc1c2c34
3 meas.
MOL
3D
#3443
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]C(Cc1ccccc1)=NN=Cc1ccc2ccc3cccc4ccc1c2c34
3 meas.
MOL
3D
#3442
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(CC([O-])=NN=Cc2ccc3ccc4cccc5ccc2c3c45)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3441
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]C(Cc1ccc(Br)cc1)=NN=Cc1ccc2ccc3cccc4ccc1c2c34.c1ccccc1
3 meas.
MOL
3D
#3440
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]C(Cc1ccccc1)=NN=Cc1ccc2ccc3cccc4ccc1c2c34.c1ccccc1
3 meas.
MOL
3D
#3439
Ru(2)
donors: {"O": 3, "N": 2, "P": 1}
[C-]#[O+].[O-]C(=NN=Cc1ccc(O)cc1[O-])c1ccc(Br)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3438
Ru(2)
donors: {"O": 3, "N": 2, "P": 1}
COc1ccc(C([O-])=NN=Cc2ccc(O)cc2[O-])cc1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3437
Ru(2)
donors: {"O": 3, "N": 2, "P": 1}
Cc1ccc(C([O-])=NN=Cc2ccc(O)cc2[O-])cc1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3436
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])c1ccccc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3435
Ru(2)
donors: {"N": 4, "O": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccccc1[O-]
5 meas.
MOL
3D
#3434
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])c1ccccc1[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3433
Ru(2)
donors: {"N": 3}
CCNC(=S)NN=Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3432
Ru(2)
donors: {"N": 3}
CNC(=S)NN=Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3431
Ru(2)
donors: {"N": 3}
CCNC(=S)NN=Cc1ccccc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3430
Ru(2)
donors: {"N": 3}
CNC(=S)NN=Cc1ccccc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3429
Ru(2)
donors: {"N": 3}
CNC(=S)NN=Cc1cccc(OC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3428
Ru(2)
donors: {"N": 3}
COc1cccc(C=NNC(N)=S)c1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3427
Ru(2)
donors: {"N": 3}
CCNC(=S)NN=Cc1ccc(OC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3426
Ru(2)
donors: {"N": 3}
CNC(=S)NN=Cc1ccc(OC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3425
Ru(2)
donors: {"N": 4, "O": 1}
C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[C-]#[O+]
4 meas.
MOL
3D
#3424
Ru(2)
donors: {"N": 4, "O": 1}
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[C-]#[O+]
4 meas.
MOL
3D
#3423
Ru(2)
donors: {"O": 1, "N": 4}
O=C1C=CC=CC1[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
8 meas.
MOL
3D
#3422
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1.c1ccccc1
5 meas.
MOL
3D
#3421
Ru(2)
donors: {"N": 5}
Cc1ccccc1.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
5 meas.
MOL
3D
#3420
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
4 meas.
MOL
3D
#3419
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3418
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(C=C([O-])c1ccccc1)c1ccccc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#3417
Ru(2)
donors: {"O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.O=C(C=C([O-])c1ccccc1)c1ccccc1.[Cl-]
2 meas.
MOL
3D
#3416
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
[C-]#[O+].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
8 meas.
MOL
3D
#3415
Ru(2)
donors: {"N": 3}
CCOC(=O)CCCCN(c1ccccn1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#3414
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(Nc2ccccn2)nc1
5 meas.
MOL
3D
#3413
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1ccc(N=Nc2ccc3ncccc3c2)c2cccnc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3412
Ru(2)
donors: {"O": 1, "N": 7}
[O-]c1ccc(N=Nc2ccc3ccccc3c2)c2cccnc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3411
Ru(2)
donors: {"O": 1, "N": 7}
[O-]c1ccc(N=Nc2ccccc2)c2cccnc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3410
Ru(2)
donors: {"N": 5, "S": 1}
Cc1ccc2ccc3ccc(-c4cccc(-c5cccc(-c6ccccn6)n5)n4)nc3c2n1.[S-]c1[nH]cnc2ncnc1-2
1 meas.
MOL
3D
#3409
Ru(2)
donors: {"S": 1, "N": 4, "P": 1}
[S-]c1[nH]cnc2ncnc1-2.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
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73/142 (7058 total)