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complexes
Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
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Ru
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#564
Ru(2)
donors: {"O": 1, "N": 3}
Cc1c([O-])c(=S)ccn1C.Cc1ccc(C(C)C)cc1.Cn1ccnc1
3 meas.
MOL
3D
#563
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccccc1.[Cl-]
2 meas.
MOL
3D
#562
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[I-]
3 meas.
MOL
3D
#561
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Br-]
3 meas.
MOL
3D
#560
Ru(2)
donors: {"N": 6}
c1ccc(-c2nnc(-c3ccccn3)nn2)cc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
2 meas.
MOL
3D
#559
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nnc(-c3ccccn3)nn2)cc1
2 meas.
MOL
3D
#558
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnc(-c3ccccn3)nn2)cc1
2 meas.
MOL
3D
#557
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#556
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#555
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#554
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#553
Ru(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cccc2)nc2cc(-c3ccc(C(=O)OC)cc3)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#552
Ru(2)
donors: {"N": 8}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#551
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(/C=C/c2nc3c4cccnc4c4...
2 meas.
MOL
3D
#550
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=[N+]([...
2 meas.
MOL
3D
#549
Ru(2)
donors: {"N": 6}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]...
2 meas.
MOL
3D
#548
Ru(2)
donors: {"N": 7, "P": 1}
CC(C)Cc1ccc(C(C)C(=O)OCc2ccncc2)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#547
Ru(2)
donors: {"N": 7, "P": 1}
COc1ccc2cc(C(C)C(=O)OCc3ccncc3)ccc2c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#546
Ru(2)
donors: {"N": 7, "P": 1}
CC(C(=O)OCc1ccncc1)c1ccc(-c2ccccc2)c(F)c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#545
Ru(2)
donors: {"N": 7, "P": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCc2ccncc2)c(Cl)c1Cl.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#544
Ru(2)
donors: {"N": 7, "P": 1}
OCc1ccncc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#543
Ru(2)
donors: {"P": 1, "N": 7}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccncc1.c1cnn(C(n2cccn2)n2cccn2)c1
3 meas.
MOL
3D
#542
Ru(2)
donors: {"N": 3}
Cc1[n-]n(-c2ccccn2)c(=O)c1C(=O)C(F)(F)F.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#541
Ru(2)
donors: {"N": 3}
Cc1[n-]n(-c2ccccn2)c(=O)c1C(=O)C(F)(F)F.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#540
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(=O)n(-c2ccccn2)[n-]1.[Cl-]
3 meas.
MOL
3D
#539
Ru(2)
donors: {"N": 3}
Cc1cc(=O)n(-c2ccccn2)[n-]1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#538
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O.[Cl-]
3 meas.
MOL
3D
#537
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Nc1cc2nc3ccccc3nc2cc1N.[Cl-]
3 meas.
MOL
3D
#536
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1c(N)c2ccccc2c2ccccc12.[Cl-]
3 meas.
MOL
3D
#535
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1cc2ccccc2cc1N.[Cl-]
3 meas.
MOL
3D
#534
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccccc1N.[Cl-]
16 meas.
MOL
3D
#533
Ru(2)
donors: {"N": 1, "S": 1}
CC(C)c1cccc(C(C)C)c1N1CC[N+](c2c(C(C)C)cccc2C(C)C)=C1C(=S)[S-].Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#532
Ru(2)
donors: {"N": 1, "S": 1}
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S-])c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#531
Ru(2)
donors: {"S": 1, "N": 1}
Cc1ccc(C(C)C)cc1.S=C([S-])c1n(C2CCCCC2)cc[n+]1C1CCCCC1.[Cl-]
1 meas.
MOL
3D
#530
Ru(2)
donors: {"N": 1, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1C(=S)[S-].Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#529
Ru(2)
donors: {"N": 1, "S": 1}
Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2C(=S)[S-])c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#528
Ru(2)
donors: {"O": 1}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#527
Ru(2)
donors: {"O": 1, "N": 1}
CCCC1=C([O-])C(N=O)c2ccccc2C1O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#526
Ru(2)
donors: {"O": 1, "N": 1}
CCC1=C([O-])C(N=O)c2ccccc2C1O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#525
Ru(2)
donors: {"O": 1}
CCCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#524
Ru(2)
donors: {"O": 1}
CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#523
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2cccc(Br)c2)oc2ccccc12.[Cl-]
6 meas.
MOL
3D
#522
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Br)cc2)oc2ccccc12.[Cl-]
10 meas.
MOL
3D
#521
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2Cl)oc2ccccc12.[Cl-]
3 meas.
MOL
3D
#520
Ru(2)
donors: {"O": 1}
Cc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.Cc1ccc(C(C)C)cc1.[Cl-]
13 meas.
MOL
3D
#519
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cl-]
9 meas.
MOL
3D
#518
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4c...
7 meas.
MOL
3D
#517
Ru(2)
donors: {"N": 8}
Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c...
7 meas.
MOL
3D
#516
Ru(2)
donors: {"O": 1}
CC1=C(C)C(C)C(C)=C1C.Cc1occc(=S)c1[O-].[Cl-]
3 meas.
MOL
3D
#515
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.Cc1occc(=S)c1[O-].[Cl-]
5 meas.
MOL
3D
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178/189 (9414 total)