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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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#2558
Ru(2)
donors: {"N": 6}
CCn1c2ccccc2c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#2557
Ru(2)
donors: {"Se": 1}
Cc1ccc(C(C)C)cc1.Cc1cccc(C)c1[Se-]
2 meas.
MOL
3D
#2556
Ru(2)
donors: {"Se": 1}
Cc1ccc(C(C)C)cc1.[Se-]c1ccccc1
2 meas.
MOL
3D
#2555
Ru(2)
donors: {"O": 1, "Se": 1}
Cc1ccc(C(C)C)cc1.[O-]c1ccc([Se-])cc1
2 meas.
MOL
3D
#2554
Ru(2)
donors: {"Se": 2}
Cc1c(C)c([Se-])c(C)c(C)c1[Se-].Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#2553
Ru(2)
donors: {"Se": 2}
Cc1ccc(C(C)C)cc1.[Se-]c1ccc([Se-])cc1
2 meas.
MOL
3D
#2552
Ru(2)
donors: {"N": 3, "O": 1}
CN1/C(=C(\[O-])Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#2551
Ru(2)
donors: {"N": 3, "O": 1}
CN1/C(=C(\[O-])Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2550
Ru(2)
donors: {"N": 3, "O": 1}
CN1/C(=C(\[O-])Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O.Cc1ccccc1.[Cl-]
2 meas.
MOL
3D
#2549
Ru(2)
donors: {"O": 2, "N": 2, "As": 2}
O=C([O-])c1ccc(-c2ccc(C(=O)O)cn2)nc1.[C-]#[O+].[H-].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#2548
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
O=C([O-])c1ccc(-c2ccc(C(=O)O)cn2)nc1.[C-]#[O+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#2547
Ru(2)
donors: {"N": 8}
Cc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
4 meas.
MOL
3D
#2546
Ru(2)
donors: {"N": 8}
Cc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2545
Ru(2)
donors: {"O": 1, "P": 4}
CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2544
Ru(2)
donors: {"O": 1, "N": 1, "P": 4}
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2543
Ru(2)
donors: {"N": 6}
COC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
2 meas.
MOL
3D
#2542
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O
4 meas.
MOL
3D
#2541
Ru(2)
donors: {"N": 4, "P": 1}
S=c1nc[nH]c2nc[nH]c12.S=c1nc[nH]c2nc[nH]c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2540
Ru(2)
donors: {"N": 5, "P": 1}
S=c1nc[nH]c2nc[nH]c12.S=c1nc[nH]c2nc[nH]c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cscn1
5 meas.
MOL
3D
#2539
Ru(2)
donors: {"S": 2, "O": 2}
CCS(=O)CCS(=O)CC.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2538
Ru(2)
donors: {"N": 2}
CCNCCN.[Cl-].c1ccc2c(c1)Cc1ccccc1C2
3 meas.
MOL
3D
#2537
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2cc3c(cc2c1)CCCC3
3 meas.
MOL
3D
#2536
Ru(2)
donors: {"O": 2, "N": 2}
CCOC(=O)c1ccccc1.NCCN.[Cl-]
1 meas.
MOL
3D
#2535
Ru(2)
donors: {"N": 2}
CCNCCN.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#2534
Ru(2)
donors: {"O": 2, "N": 2}
COC(=O)c1ccccc1.NCCN.[Cl-]
2 meas.
MOL
3D
#2533
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NC(=O)c1ccncc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2532
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCCN.[I-]
7 meas.
MOL
3D
#2531
Ru(2)
donors: {"N": 2}
NCCN.[I-].c1ccccc1
2 meas.
MOL
3D
#2530
Ru(2)
donors: {"N": 2}
CC#N.CC#N.Cc1ccc(C(C)C)cc1.[Br-]
2 meas.
MOL
3D
#2529
Ru(2)
donors: {"N": 2}
CC#N.CC#N.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2528
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C=O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#2527
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#2526
Ru(2)
donors: {"N": 6}
COC(=O)c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
MOL
3D
#2525
Ru(2)
donors: {"S": 2, "N": 4}
O=[S-](=O)c1ccccc1[S-](=O)=O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#2524
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1cccc2ccccc12)c1cccs1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#2523
Ru(2)
donors: {"N": 2}
O=C(NC(=S)NCc1ccccc1)c1cccs1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#2522
Ru(2)
donors: {"N": 2}
Cc1ccccc1NC(=S)NC(=O)c1cccs1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#2521
Ru(2)
donors: {"N": 2}
O=C(NC(=S)Nc1ccccc1)c1cccs1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#2520
Ru(2)
donors: {"N": 2}
CCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2519
Ru(2)
donors: {"N": 2}
CCCCCCCCC(=O)NC(=S)Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2518
Ru(2)
donors: {"N": 2}
CCCCCCC(=O)NC(=S)Nc1cccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2517
Ru(2)
donors: {"N": 2}
CCCCCCC(=O)NC(=S)Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2516
Ru(2)
donors: {"N": 2}
CC(=O)NC(=S)Nc1cccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2515
Ru(2)
donors: {"N": 2}
CC(=O)NC(=S)Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2514
Ru(2)
donors: {"N": 8}
CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccn...
5 meas.
MOL
3D
#2513
Ru(2)
donors: {"N": 8}
CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2512
Ru(2)
donors: {"N": 8}
NC(=O)c1ccnc(-c2cc(C(N)=O)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2511
Ru(2)
donors: {"N": 6}
Brc1ccnc(-c2cc(Br)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2510
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#2509
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
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91/142 (7058 total)