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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
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Ox. State
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#2608
Ru(2)
donors: {"N": 3, "O": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1Cl.COc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1.Cc1ccc(C(C)C)cc1
6 meas.
MOL
3D
#2607
Ru(2)
donors: {"N": 3, "O": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1Cl.COc1cccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c1.Cc1ccc(C(C)C)cc1
6 meas.
MOL
3D
#2606
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2605
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc(OC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2604
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2603
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2602
Ru(2)
donors: {"O": 1}
COc1cccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2601
Ru(2)
donors: {"O": 2, "N": 1, "P": 2}
CC(=O)/C=C(/C)[O-].Cc1c[c-]c(O)c(/C=N/c2ccc(Cl)cc2)c1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)...
1 meas.
MOL
3D
#2600
Ru(2)
donors: {"O": 2, "N": 1, "P": 2}
CC(=O)/C=C(/C)[O-].Cc1ccc(/N=C/c2cc(C)c[c-]c2O)cc1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2599
Ru(2)
donors: {"O": 2, "N": 1, "P": 2}
CC(=O)/C=C(/C)[O-].Cc1c[c-]c(O)c(/C=N/c2ccccc2)c1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2598
Ru(2)
donors: {"N": 7}
NCCc1cnc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#2597
Ru(2)
donors: {"N": 4, "S": 1, "O": 1, "As": 1}
C/C(=N\N=C(/[S-])Nc1ccccc1)c1ccccn1.[C-]#[O+].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2596
Ru(2)
donors: {"N": 4, "S": 1, "O": 1, "P": 1}
C/C(=N\N=C(/[S-])Nc1ccccc1)c1ccccn1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2595
Ru(2)
donors: {"N": 4, "S": 1, "O": 1, "P": 1}
CN/C([S-])=N/N=C(\C)c1ccccn1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2594
Ru(2)
donors: {"N": 4, "S": 1, "O": 1, "P": 1}
C/C(=N\N=C(/N)[S-])c1ccccn1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2593
Ru(3)
donors: {"O": 1, "N": 2, "P": 1}
[Br-].[Br-].[O-]c1ccc2ccccc2c1/C=N/c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2592
Ru(3)
donors: {"O": 1, "N": 2, "As": 1}
[Cl-].[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1nc2ccccc2s1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2591
Ru(3)
donors: {"O": 1, "N": 2, "P": 1}
[Cl-].[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2590
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Oc1c(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br
4 meas.
MOL
3D
#2589
Ru(2)
donors: {"N": 6}
Nc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2588
Ru(2)
donors: {"N": 6}
Nc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2587
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N
4 meas.
MOL
3D
#2586
Ru(2)
donors: {"N": 4}
Cc1ccc(O)c(/N=C/c2ccccn2)c1.Cc1ccc(O)c(/N=C/c2ccccn2)c1.[Cl-].[Cl-]
7 meas.
MOL
3D
#2585
Ru(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.CC#N.CC#N.[Cl-]
1 meas.
MOL
3D
#2584
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2583
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#2582
Ru(2)
donors: {"N": 8}
NCCNCCN.c1cc2c3c(cccc3c1)-c1nc(-c3ccc4ccc5cccnc5c4n3)nnc1-2
3 meas.
MOL
3D
#2581
Ru(2)
donors: {"N": 8}
NCCNCCN.c1ccc(-c2nnc(-c3ccc4ccc5cccnc5c4n3)nc2-c2ccccc2)cc1
3 meas.
MOL
3D
#2580
Ru(3)
donors: {"Cl": 3}
[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#2579
Ru(2)
donors: {"N": 8}
O=C1c2ccccc2-c2nc3c4cccnc4c4ncccc4c3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2578
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2ccccc2-c2nc3c4cccnc4c4ncccc4c3nc21
5 meas.
MOL
3D
#2577
Ru(2)
donors: {"P": 2, "O": 1}
CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1c(C)c(C)[c-](CCCCCO)c1C.[Cl-]
2 meas.
MOL
3D
#2576
Ru(2)
donors: {"P": 2}
CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#2575
Ru(2)
donors: {"N": 1, "P": 2}
CC#N.Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2574
Ru(2)
donors: {"O": 1, "P": 2}
Cc1c(C)c(C)[c-](CCCCCO)c1C.[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2573
Ru(2)
donors: {"P": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2572
Ru(2)
donors: {"N": 8}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2571
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc...
4 meas.
MOL
3D
#2570
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2569
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2568
Ru(2)
donors: {"N": 2}
N.N.N.N.N#[O+].O=C(O)c1ccncc1
1 meas.
MOL
3D
#2567
Ru(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.Ic1ccc2[nH]ncc2c1.[Cl-].[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2566
Ru(3)
donors: {"N": 4}
Ic1ccc2[nH]ncc2c1.Ic1ccc2[nH]ncc2c1.[Cl-].[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2565
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccccn1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2564
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
8 meas.
MOL
3D
#2563
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)c1
3 meas.
MOL
3D
#2562
Ru(2)
donors: {"N": 4, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1
3 meas.
MOL
3D
#2561
Ru(2)
donors: {"N": 8}
CCOc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
3 meas.
MOL
3D
#2560
Ru(2)
donors: {"N": 6}
CCOc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1
3 meas.
MOL
3D
#2559
Ru(2)
donors: {"N": 6}
CCn1c2ccccc2c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
4 meas.
MOL
3D
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90/142 (7058 total)