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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
Ru
Ox. State
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Donor atoms
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#4508
Ru(2)
donors: {"N": 6}
C#CCCC1(CCNC(=O)c2cc3cccnc3c3ncccc23)N=N1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#4507
Ru(2)
donors: {"N": 8}
c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#4506
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc3...
7 meas.
MOL
3D
#4505
Ru(2)
donors: {"N": 8}
c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#4504
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1
7 meas.
MOL
3D
#4503
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)ncc...
7 meas.
MOL
3D
#4502
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12
7 meas.
MOL
3D
#4501
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)c...
7 meas.
MOL
3D
#4500
Ru(2)
donors: {"N": 7}
c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#4499
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1
7 meas.
MOL
3D
#4498
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc([N+](=O)[O-])cc1Br.[Cl-].[Cl-]
2 meas.
MOL
3D
#4497
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc([N+](=O)[O-])cc1Cl.[Cl-].[Cl-]
2 meas.
MOL
3D
#4496
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc([N+](=O)[O-])cc1F.[Cl-].[Cl-]
2 meas.
MOL
3D
#4495
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc([N+](=O)[O-])cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4494
Ru(3)
donors: {"O": 1, "N": 1, "P": 2}
[Cl-].[Cl-].[O-]c1ccc(Br)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4493
Ru(3)
donors: {"O": 1, "N": 1, "P": 2}
Cc1ccc2c(Br)cc(Br)c([O-])c2n1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4492
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1
2 meas.
MOL
3D
#4491
Ru(2)
donors: {"N": 1}
Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4490
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccsc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#4489
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#4488
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C(Cl)=C(\[O-])c1ccccc1)c1ccccc1
2 meas.
MOL
3D
#4487
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1
2 meas.
MOL
3D
#4486
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#4485
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CC(=O)/C=C(/C)[O-].Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#4484
Ru(2)
donors: {"O": 1}
CC(=O)/C(Cl)=C(/C)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4483
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Cc1cccnc1-c1nnc(-c2ncccc2C)n1-n1cccc1.[Cl-]
2 meas.
MOL
3D
#4482
Ru(2)
donors: {"N": 2}
N.N.N.N.N#[O+].c1ccncc1
1 meas.
MOL
3D
#4481
Ru(2)
donors: {"N": 5}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(/N=N/c2ccccn2)cc1
7 meas.
MOL
3D
#4480
Ru(2)
donors: {"N": 4}
Cc1ccnc(-c2cc(CNC(=O)c3ccccc3Nc3c(Cl)ccc(C)c3Cl)ccn2)c1.[Cl-].c1ccc(-c2ccccc2)cc1
5 meas.
MOL
3D
#4479
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CNC(=O)c3ccccc3Nc3c(Cl)ccc(C)c3Cl)ccn2)c1.[Cl-]
5 meas.
MOL
3D
#4478
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc(-c3ccncc3)[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4477
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc(-c3ccncc3)[nH]c1c1cccnc12
5 meas.
MOL
3D
#4476
Ru(2)
donors: {"O": 1, "N": 4}
O=Cc1cc(Cl)cc(Br)c1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4475
Ru(2)
donors: {"O": 1, "N": 4}
O=Cc1cc(Cl)cc(Cl)c1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4474
Ru(2)
donors: {"O": 1, "N": 4}
O=Cc1cc(Cl)ccc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4473
Ru(2)
donors: {"O": 1, "N": 4}
O=Cc1cc(Br)cc(Br)c1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4472
Ru(2)
donors: {"O": 1, "N": 4}
O=Cc1cc(Br)ccc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4471
Ru(2)
donors: {"O": 2, "N": 2}
C/C=C/c1ccc(OC)c(OC)c1.Nc1ccccc1N.[Cl-]
4 meas.
MOL
3D
#4470
Ru(2)
donors: {"O": 2, "N": 2}
C/C=C/c1ccc(OC)c(OC)c1.NCCN.[Cl-]
4 meas.
MOL
3D
#4469
Ru(2)
donors: {"O": 1, "N": 2}
C/C=C/c1ccc(OC)cc1.[Cl-].c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4468
Ru(2)
donors: {"O": 2, "N": 2}
C/C=C/c1ccc(OC)c(OC)c1.[Cl-].c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4467
Ru(2)
donors: {"N": 3}
CCNC(=S)N/N=C\c1c2ccccc2cc2ccccc12.[Cl-].c1ccccc1
9 meas.
MOL
3D
#4466
Ru(2)
donors: {"N": 3}
NC(=S)N/N=C\c1c2ccccc2cc2ccccc12.[Cl-].c1ccccc1
9 meas.
MOL
3D
#4465
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1c(Br)cc(Br)c2cccnc12
3 meas.
MOL
3D
#4464
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1c(Cl)cc(Cl)c2cccnc12
3 meas.
MOL
3D
#4463
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1ccc(Cl)c2cccnc12
3 meas.
MOL
3D
#4462
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC#N.Cc1ccc([O-])c(/N=N/c2[c-]c3c(cc2)OCO3)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4461
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
Cc1ccc([O-])c(/N=N/c2[c-]c3c(cc2)OCO3)c1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4460
Ru(2)
donors: {"P": 2}
[Cl-].[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#4459
Ru(2)
donors: {"N": 1}
O=C(/C=C/c1cccnc1)c1ccccc1O.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
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