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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
Re
Rh
Ru
Ox. State
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#3558
Ru(2)
donors: {"P": 2}
C=C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3557
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C2C(=N/c3ccc(OC)cc3)/c3cccc4cccc/2c34)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#3556
Ru(2)
donors: {"N": 2}
Cc1ccc(/N=C2C(=N/c3ccc(C)cc3)/c3cccc4cccc/2c34)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#3555
Ru(2)
donors: {"N": 2}
Brc1ccc(/N=C2C(=N/c3ccc(Br)cc3)/c3cccc4cccc/2c34)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#3554
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(/N=C2C(=N/c3ccc(Cl)cc3)/c3cccc4cccc/2c34)cc1.[Cl-]
10 meas.
MOL
3D
#3553
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/N=C2C(=N/c3ccc(F)cc3)/c3cccc4cccc/2c34)cc1.[Cl-]
10 meas.
MOL
3D
#3552
Ru(2)
donors: {"N": 6}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3551
Ru(2)
donors: {"N": 6}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
7 meas.
MOL
3D
#3550
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCCCCCCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#3549
Ru(2)
donors: {"N": 6, "O": 1}
Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.O=[N+]([O-])c1cc2cccnc2c2ncccc12
6 meas.
MOL
3D
#3548
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
6 meas.
MOL
3D
#3547
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.Cc1ccnc2c1ccc1c(C)ccnc12
6 meas.
MOL
3D
#3546
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#3545
Ru(2)
donors: {"N": 4, "S": 1, "P": 2}
CN(C)/C([S-])=N/C(=O)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3544
Ru(2)
donors: {"N": 4, "S": 1, "P": 2}
CN(C)/C([S-])=N/C(=O)c1cccs1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3543
Ru(2)
donors: {"N": 4, "S": 1, "P": 2}
CCCCN(CCCC)/C([S-])=N/C(=O)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3542
Ru(2)
donors: {"N": 7}
COc1ccc(/C=C/C2=[N+]3C(=C(c4ccnc(-c5cc(C)ccn5)c4)c4c(C)cc(/C=C/c5ccc(OC)cc5)n4[B-]3(F)F)C(C)=C2)cc1.c1ccc(-c2ccccn2)nc1....
6 meas.
MOL
3D
#3541
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3540
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])C(Cl)Cl.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#3539
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NC1c2ccccc2C=Cc2ccccc21)C1CCCCC1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3538
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NC1c2ccccc2C=Cc2ccccc21)c1ccco1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3537
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NC1c2ccccc2C=Cc2ccccc21)c1cccs1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3536
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NC1c2ccccc2C=Cc2ccccc21)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3535
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1
1 meas.
MOL
3D
#3534
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3533
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3532
Ru(2)
donors: {"N": 3}
CC(C)c1cccc(C(C)C)c1/N=C/c1ncc[nH]1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#3531
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C\c1c[nH]c2ccccc12)c1ccco1
3 meas.
MOL
3D
#3530
Ru(2)
donors: {"O": 1, "N": 5}
O=S(=O)([O-])c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#3529
Ru(2)
donors: {"O": 1, "N": 5}
O=S(=O)([O-])c1ccccn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3528
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=S(=O)([O-])c1ccccn1
5 meas.
MOL
3D
#3527
Ru(2)
donors: {"O": 1, "N": 5}
O=S(=O)([O-])c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3526
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3525
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3524
Ru(2)
donors: {"N": 2}
Cc1cc(C)c(NC(=S)NC(=O)c2ccco2)c(C)c1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3523
Ru(2)
donors: {"N": 2}
CCc1cccc(CC)c1NC(=S)NC(=O)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3522
Ru(2)
donors: {"N": 2}
O=C(NC(=S)NCCc1ccccc1)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3521
Ru(2)
donors: {"N": 2}
O=C(NC(=S)NCc1ccccc1)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3520
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccccc1)c1ccco1.[Cl-].[Cl-].c1ccccc1
6 meas.
MOL
3D
#3519
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3518
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccco1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3517
Ru(2)
donors: {"N": 2}
Cc1cc(C)c(NC(=S)NC(=O)c2ccco2)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3516
Ru(2)
donors: {"N": 2}
CCc1cccc(CC)c1NC(=S)NC(=O)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3515
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCCc1ccccc1)c1ccco1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3514
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccccc1)c1ccco1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3513
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1)c1ccco1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3512
Ru(2)
donors: {"S": 3, "O": 3, "N": 2}
CS(C)=O.CS(C)=O.CS(C)=O.N[C@H]1CCCC[C@@H]1N.[Cl-]
1 meas.
MOL
3D
#3511
Ru(2)
donors: {"S": 3, "O": 3, "N": 2}
CS(C)=O.CS(C)=O.CS(C)=O.NCCN.[Cl-]
1 meas.
MOL
3D
#3510
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1
3 meas.
MOL
3D
#3509
Ru(2)
donors: {"N": 6}
Cn1[c-][n+](Cc2cccc(C[n+]3[c-]n(C)c4ccccc43)n2)c2ccccc21.Cn1[c-][n+](Cc2cccc(C[n+]3[c-]n(C)c4ccccc43)n2)c2ccccc21
3 meas.
MOL
3D
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71/142 (7058 total)