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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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Ir
Os
Re
Rh
Ru
Ox. State
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#3058
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2...
4 meas.
MOL
3D
#3057
Ru(2)
donors: {"O": 1, "P": 2, "N": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3056
Ru(2)
donors: {"N": 2, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3055
Ru(2)
donors: {"N": 2, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3054
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3053
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccc2c(c1)OCO2)c1cccs1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3052
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)NCc1ccc2c(c1)OCO2)c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3051
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccc2c(c1)OCO2)c1ccco1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3050
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccco1)c1cccs1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3049
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1cccs1)c1cccs1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3048
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)NCc1ccco1)c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3047
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccco1)c1ccco1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3046
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c...
1 meas.
MOL
3D
#3045
Ru(2)
donors: {"N": 8}
CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c...
1 meas.
MOL
3D
#3044
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3043
Ru(2)
donors: {"N": 8}
CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3042
Ru(2)
donors: {"N": 6}
O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#3041
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3040
Ru(2)
donors: {"P": 1, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#3039
Ru(2)
donors: {"N": 2}
CCCCCCCCC(=O)NC(=S)Nc1ccccc1.[Cl-].[Cl-].c1ccccc1
2 meas.
MOL
3D
#3038
Ru(2)
donors: {"N": 2}
CCCCCCC(=O)NC(=S)Nc1cccc2ccccc12.[Cl-].[Cl-].c1ccccc1
2 meas.
MOL
3D
#3037
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3036
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3s2)nc1
1 meas.
MOL
3D
#3035
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3o2)nc1
1 meas.
MOL
3D
#3034
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
1 meas.
MOL
3D
#3033
Ru(2)
donors: {"N": 6}
c1ccc(-c2cc3ccccc3[n-]2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3032
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3ccccc3s2)nc1
1 meas.
MOL
3D
#3031
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3ccccc3o2)nc1
1 meas.
MOL
3D
#3030
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3ccccc3[nH]2)nc1
1 meas.
MOL
3D
#3029
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2cc3ccccc3[n-]2)nc1
1 meas.
MOL
3D
#3028
Ru(2)
donors: {"N": 5, "S": 1, "O": 1}
C1CNCCNCCN1.CS(C)=O.NC1CCCCC1N
1 meas.
MOL
3D
#3027
Ru(2)
donors: {"N": 5, "S": 1, "O": 1}
C1CNCCNCCN1.CS(C)=O.NCCN
1 meas.
MOL
3D
#3026
Ru(2)
donors: {"N": 3, "S": 2, "O": 2}
C1CNCCNCCN1.CS(C)=O.CS(C)=O.[Cl-]
1 meas.
MOL
3D
#3025
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.NC1CCCCC1N.[Cl-]
1 meas.
MOL
3D
#3024
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1N.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#3023
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1N.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#3022
Ru(2)
donors: {"N": 2, "P": 2}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3021
Ru(2)
donors: {"N": 4, "S": 1, "P": 2}
Cc1cc(C)nc([S-])n1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3020
Ru(2)
donors: {"N": 4, "S": 1, "P": 2}
Cc1cc(C)nc([S-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#3019
Ru(2)
donors: {"N": 1, "O": 1, "P": 4}
NC(CO)C(=O)[O-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3018
Ru(2)
donors: {"N": 1, "O": 1, "P": 4}
NC(C(=O)[O-])c1ccc(O)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3017
Ru(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(N(C)C)cc3)c2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
3 meas.
MOL
3D
#3016
Ru(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(C(F)(F)F)cc3)c2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
3 meas.
MOL
3D
#3015
Ru(2)
donors: {"N": 7}
CCCCn1c(-c2[c-]ccc(-c3ccc(N(C)C)cc3)c2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3014
Ru(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(C(F)(F)F)cc3)c2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3013
Ru(2)
donors: {"N": 7}
[Cl-].c1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)ccnc3c2n1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
6 meas.
MOL
3D
#3012
Ru(2)
donors: {"O": 1, "N": 4}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#3011
Ru(2)
donors: {"O": 1, "N": 4}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3010
Ru(2)
donors: {"N": 4}
C1=CC2=CCc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)c4c3C2C(=C1)C=C4.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3009
Ru(2)
donors: {"N": 8}
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)nc1.c1ccc2n[nH]cc2c1
1 meas.
MOL
3D
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81/142 (7058 total)