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Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
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4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
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#4014
Ru(2)
donors: {"O": 1, "N": 1, "P": 4}
O=C([O-])c1ccc2ccccc2n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4013
Ru(2)
donors: {"S": 1, "O": 1, "N": 6}
CS(C)=O.O=C(N/N=C1\C(=O)c2cccnc2-c2ncccc21)c1ccco1.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4012
Ru(2)
donors: {"S": 1, "O": 1, "N": 6}
CS(C)=O.O=C(N/N=C1\C(=O)c2cccnc2-c2ncccc21)c1cccs1.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4011
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3C)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4010
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C(C)(C)C)cc3)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4009
Ru(2)
donors: {"N": 1}
Cc1cc(C)c(Cn2[c-][n+](Cc3c(C)cc(C)cc3C)c3cc(C)c(C)cc32)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4008
Ru(2)
donors: {"N": 1}
Cc1cc(C)c(Cn2[c-][n+](Cc3c(C)c(C)c(C)c(C)c3C)c3cc(C)c(C)cc32)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4007
Ru(2)
donors: {"S": 2, "O": 2, "N": 3}
CS(C)=O.CS(C)=O.Cc1cccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc12.[Cl-].[Cl-]
7 meas.
MOL
3D
#4006
Ru(3)
donors: {"O": 1, "N": 3, "As": 1}
COc1cccc(/C([O-])=N/N=C(\c2ccccc2)c2ccccn2)c1.[Br-].[Br-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4005
Ru(3)
donors: {"O": 1, "N": 3, "As": 1}
COc1cccc(/C([O-])=N/N=C(\c2ccccc2)c2ccccn2)c1.[Cl-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4004
Ru(3)
donors: {"O": 1, "N": 3, "P": 1}
COc1cccc(/C([O-])=N/N=C(\c2ccccc2)c2ccccn2)c1.[Br-].[Br-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4003
Ru(3)
donors: {"O": 1, "N": 3, "P": 1}
COc1cccc(/C([O-])=N/N=C(\c2ccccc2)c2ccccn2)c1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4002
Ru(2)
donors: {"N": 4}
Clc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4001
Ru(3)
donors: {"O": 1, "N": 2}
[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]cnc2c1
3 meas.
MOL
3D
#4000
Ru(3)
donors: {"O": 1, "N": 2}
[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1
3 meas.
MOL
3D
#3999
Ru(3)
donors: {"N": 2, "O": 1}
Cn1cc2ccccc2n1.[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#3998
Ru(3)
donors: {"N": 2, "O": 1}
Cn1ncc2ccccc21.[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#3997
Ru(3)
donors: {"O": 1, "N": 2}
[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#3996
Ru(2)
donors: {"P": 3}
[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#3995
Ru(3)
donors: {"O": 2, "N": 2, "P": 1}
Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3994
Ru(3)
donors: {"O": 1, "N": 1, "P": 2}
Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3993
Ru(3)
donors: {"O": 1, "N": 1, "P": 2}
[Cl-].[Cl-].[O-]c1c(Cl)cc(Cl)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3992
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C
6 meas.
MOL
3D
#3991
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.c1ccc(-c2ccccc2)cc1
6 meas.
MOL
3D
#3990
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.c1ccc2c(c1)CCC2
6 meas.
MOL
3D
#3989
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1ccccc1
6 meas.
MOL
3D
#3988
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.c1ccccc1
6 meas.
MOL
3D
#3987
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Ic1cnn(-c2nc3ccccc3[nH]2)c1.[I-]
1 meas.
MOL
3D
#3986
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Ic1cnn(-c2nc3ccccc3[nH]2)c1.[Cl-]
1 meas.
MOL
3D
#3985
Ru(2)
donors: {"N": 4}
Brc1cnn(-c2nc3ccccc3[nH]2)c1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#3984
Ru(2)
donors: {"N": 4}
Brc1cnn(-c2nc3ccccc3[nH]2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3983
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1cnn(-c2nc3ccccc3[nH]2)c1.[I-]
1 meas.
MOL
3D
#3982
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1cnn(-c2nc3ccccc3[nH]2)c1.[Cl-]
1 meas.
MOL
3D
#3981
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[I-].c1ccc2[nH]c(-n3cccn3)nc2c1
1 meas.
MOL
3D
#3980
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2[nH]c(-n3cccn3)nc2c1
1 meas.
MOL
3D
#3979
Ru(3)
donors: {"N": 2}
CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1.O.[OH-]
7 meas.
MOL
3D
#3978
Ru(3)
donors: {"N": 2}
CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1.[Cl-].[Cl-]
7 meas.
MOL
3D
#3977
Ru(2)
donors: {"N": 6, "O": 2}
C/C(=N\N=C(/[O-])c1cccs1)c1ccccn1.C/C(=N\N=C(/[O-])c1cccs1)c1ccccn1
2 meas.
MOL
3D
#3976
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C/C(=N\N=C(/[O-])c1cccs1)c1ccccn1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3975
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
COc1ccc(/C([O-])=N/N=C/c2ccccc2Br)cc1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3974
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
COc1ccc(/C([O-])=N/N=C/c2ccc(C)cc2)cc1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3973
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
COc1ccc(/C([O-])=N/N=C/c2ccc(C(=O)O)cc2)cc1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3972
Ru(2)
donors: {"N": 6}
Cc1ccc(-n2cc(-c3cn(-c4ccc(C)cc4)nn3)nn2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3971
Ru(2)
donors: {"N": 4}
Cc1ccc(-n2cc(-c3ccccn3)nn2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3970
Ru(2)
donors: {"N": 6}
Cc1ccc(-n2cc(-c3cn(-c4ccc(C)cc4)nn3)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3969
Ru(2)
donors: {"N": 4}
Cc1ccc(-n2cc(-c3ccccn3)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3968
Ru(2)
donors: {"N": 8}
c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#3967
Ru(2)
donors: {"S": 2, "O": 3, "N": 3}
CS(C)=O.CS(C)=O.NC(=O)N/N=C\c1ccc([N+](=O)[O-])o1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3966
Ru(2)
donors: {"N": 6}
COc1ccc(/C2=C3\CC/C(=C(\c4ccc(OC)cc4)C4=N/C(=C(/c5ccc(OC)cc5)C5CCC(N5)/C(c5ccncc5)=C5/C=CC2=N5)C=C4)N3)cc1.[Cl-].c1cnc2c...
1 meas.
MOL
3D
#3965
Ru(2)
donors: {"N": 6}
COc1ccc(/C2=C3\CC/C(=C(\c4ccc(OC)cc4)C4=N/C(=C(/c5cccnc5)C5CCC(N5)/C(c5ccc(OC)cc5)=C5/C=CC2=N5)C=C4)N3)cc1.[Cl-].c1cnc2c...
1 meas.
MOL
3D
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