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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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#3408
Ru(2)
donors: {"S": 1, "N": 5}
[S-]c1[nH]cnc2ncnc1-2.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#3407
Ru(2)
donors: {"N": 5, "S": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[S-]c1[nH]cnc2ncnc1-2
1 meas.
MOL
3D
#3406
Ru(2)
donors: {"S": 1, "N": 5}
[S-]c1[nH]cnc2ncnc1-2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3405
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2cn(Cc3nc4ccccc4nc3-n3cc(-c4ccccn4)nn3)nn2)nc1
3 meas.
MOL
3D
#3404
Ru(2)
donors: {"N": 2}
FC(F)(F)C(=CC(=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#3403
Ru(2)
donors: {"N": 2}
Cc1cc(C)cc(N=C(C=C([N-]c2cc(C)cc(C)c2)C(F)(F)F)C(F)(F)F)c1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#3402
Ru(2)
donors: {"N": 2}
CC(=CC(C)=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#3401
Ru(2)
donors: {"O": 2, "P": 1}
COC(=O)c1ccccc1.CP(c1ccccc1)c1ccc2ccc3cccc4ccc1c2c34.[Cl-].[Cl-]
5 meas.
MOL
3D
#3400
Ru(2)
donors: {"P": 1}
CP(c1ccccc1)c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#3399
Ru(2)
donors: {"O": 2, "P": 1}
COC(=O)c1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
5 meas.
MOL
3D
#3398
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
5 meas.
MOL
3D
#3397
Ru(2)
donors: {"O": 2, "P": 1}
COC(=O)c1ccccc1.CP(C)c1ccc2ccc3cccc4ccc1c2c34.[Cl-].[Cl-]
5 meas.
MOL
3D
#3396
Ru(2)
donors: {"P": 1}
CP(C)c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#3395
Ru(2)
donors: {"N": 5, "P": 1}
C1N2C[NH+]3CN1CP(C2)C3.C1N2C[NH+]3CN1CP(C2)C3.CC(=N[N-]C(=S)N(C)C)c1ccccn1.[Cl-]
4 meas.
MOL
3D
#3394
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c...
4 meas.
MOL
3D
#3393
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3392
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3391
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3390
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3389
Ru(2)
donors: {"N": 8}
COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
5 meas.
MOL
3D
#3388
Ru(2)
donors: {"N": 8}
COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3387
Ru(2)
donors: {"N": 8}
COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3386
Ru(2)
donors: {"N": 8}
COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1
5 meas.
MOL
3D
#3385
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3ccc4nsnc4c3nc1c1cccnc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#3384
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3ccc4nsnc4c3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3383
Ru(2)
donors: {"N": 6}
Cc1cnc2c(ccc3nc4c5cccnc5c5ncccc5c4nc32)n1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
1 meas.
MOL
3D
#3382
Ru(2)
donors: {"N": 6}
Cc1cnc2c(ccc3nc4c5cccnc5c5ncccc5c4nc32)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3381
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1.O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)coc2ccc(Br)cc12
1 meas.
MOL
3D
#3380
Ru(2)
donors: {"N": 8}
O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)coc2ccc(Br)cc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3379
Ru(2)
donors: {"N": 8}
O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)coc2ccc(Br)cc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3378
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ncccc1NCc1ccccc1[O-].N#[O+].[Cl-].[Cl-]
3 meas.
MOL
3D
#3377
Ru(2)
donors: {"N": 6}
COc1ccc2[nH]c3nc4c5cccnc5c5ncccc5c4nc3c2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3376
Ru(2)
donors: {"N": 6}
COc1ccc2[nH]c3nc4c5cccnc5c5ncccc5c4nc3c2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3375
Ru(2)
donors: {"O": 1, "N": 2}
[C-]#[O+].c1cc[cH-]c1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3374
Ru(2)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.c1cc[cH-]c1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3373
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(CCN=Cc2ncc[nH]2)cc1.[I-]
4 meas.
MOL
3D
#3372
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(CCN=Cc2ncc[nH]2)cc1.[Cl-]
4 meas.
MOL
3D
#3371
Ru(2)
donors: {"N": 8}
COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
10 meas.
MOL
3D
#3370
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#3369
Ru(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1c[nH]c(-c2ncc[nH]2)n1
4 meas.
MOL
3D
#3368
Ru(2)
donors: {"S": 2, "O": 2, "N": 4}
CS(C)=O.CS(C)=O.[Cl-].[Cl-].c1c[nH]c(-c2ncc[nH]2)n1
5 meas.
MOL
3D
#3367
Ru(2)
donors: {"N": 2}
CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(Cc3ccccc3)cc1)C2=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3366
Ru(2)
donors: {"N": 2}
CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(CC)cc1)C2=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3365
Ru(2)
donors: {"N": 2}
CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(C)cc1)C2=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3364
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc2-c2ccccc2)cc1
4 meas.
MOL
3D
#3363
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc2-c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3362
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc2-c2ccccc2)cc1
4 meas.
MOL
3D
#3361
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(-c2nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc2-c2ccccc2)cc1
4 meas.
MOL
3D
#3360
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
13 meas.
MOL
3D
#3359
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
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74/142 (7058 total)