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. 2021 Jul 23;54(15):3095–3107. doi: 10.1021/acs.accounts.1c00290

Table 1. Selected Structural Data (Å) from Representative Transition Metal Corroles with Emphasis on 4d and 5d Metallocorrolesa.

complex M–N1/N4b M–N2/N3b M–Nplanec M–Ld conformation CSD refcode
Group 4
Ti[Mes2pOCH3PC]Cl 1.993 1.988 0.667 2.220 domed NIYDUW
{Zr[Mes2pOCH3PC](μ-Cl)-(THF)}2 2.161–2.166 1.355 2.687 domed NIYFAE
{Hf[Mes2pOCH3PC](μ-Cl)}2 2.142–2.157 1.184 2.208 domed NIYDEG
Group 5
{Nb[Mes2pOCH3PC]}2(μ-O)3 2.113 2.121 0.987 2.075 domed AQUBAS
{Ta[Mes2pOCH3PC]}2(μ-O)3 2.099 2.111 0.967 2.063 domed AQOZUE
Ta[Mes2pOCH3PC](NtBu) 2.085 2.046 0.775 1.778 domed UCIVEK
Ta[Mes2pOCH3PC]Cl2 2.065 2.074 0.903 2.374 domed UCIVAG
Group 6
Cr[TPFPC](O) 1.928 1.943 0.562 1.570 planar WIZRUS
Cr[TPFPC](NMes) 1.938 1.948 0.537 4.636 planar NAQDAL
Mo[TPFPC](O) 2.034 2.0385 0.729 1.684 domed YEBTIJ
Mo[TpOCH3PC]Cl2 2.033 2.0635 0.884 2.3697 domed NEMMAW
Mo[TpCH3PC]2 2.160–2.228 1.179 – domed HAPVEC
{WVI[TPFPC]}2(μ-O)3 2.058(7)–2.124(7) 0.961 2.0105 domed CAWVAZ
W[Mes2pOCH3PC]Cl2 2.032 2.056 0.867 2.3675 domed WUNZUC
W[TPC]2 2.150–2.218 1.171   domed OKIJID
Group 7
Mn[TpCH3PC](Cl) 1.917 1.930 0.374 2.295 planar VIHNAE
Mn[TPh3PC](O) 1.899 1.920 0.527 1.633 planar NICFOX
Tc[TpOCH3PC](O) 1.981 2.002 0.687 1.660 domed NATCAP
Re[TpFPC](O) 1.991 2.009 0.704 1.668 domed NAGXEB
Re[TpFPC](NPh) 2.000 2.013 0.693 1.721 domed OJEBAJ
Re[Cl8TpCH3PC](O) 1.9935 2.018 0.671 1.677 domed IPUNUF
Re[Br8TpFPC](O) 1.9965 2.015 0.668 1.673 saddled/domed IPUPAN
{Re[TpCH3PC]}2 2.0035 2.0145 0.531 2.236 domed ISUREW
Group 8
Fe[TDCPC](NO) 1.900 1.920 0.452 1.641 planar AGULET
Ru[TPFPC](NO) 1.967 1.998 0.54 1.715 domed HUQJEI
Ru[TPC](N) 1.969 1.997 0.605 1.613 domed HAWXIP
{Ru[TpCF3PC]}2 1.963 1.982 0.517 2.183 domed HAWXUB
Os[TpCF3PC](N) 1.981 1.999 0.605 1.643 domed POPTOF
Os[Cl8TPC](N) 1.985 1.995 0.565 1.636 domed QUFYAU
(AsPh4){Os[TpCF3TPC](N)-PtCl3} 1.975 1.983 0.578 1.660 domed QUFYEY
{Os[TpCF3PC]}2 1.979 1.995 0.522 2.240 domed NODDUI
Group 9
Co[TpMePC](py)2 1.869 1.900   1.991 planar FIFXEA
Co[TPFPC](PPh3) 1.871 1.885 0.262 2.205 planar BAQPUF
Rh[TPFPC](py)2 1.942 1.966   2.066 planar HIQDET
Rh[TPFPC](PPh3) 1.963 1.972 0.227 2.222 domed MELBUA
Ir[TPFPC](Me3N)2 1.954 1.975   2.186 planar COHYII
Ir[Br8TPFPC](Me3N)2 1.961 1.988   2.189 planar COHYOO
Group 10
(PyMe){Pd[TPFPC]} 1.928 1.947     planar MUDKOO
PtIV[TPC•](m-C6H4CN)(p-C6H4CH3) 1.947 1.969   2.1165 planar FOKQAZ
PtIV[TPC](m-C6H4CN)(py) 1.944 1.9605   2.1245 planar IQOHII
Group 11
Cu[TPC] 1.893 1.892     saddled KAGGIJ
Cu[Br8TpMePC] 1.916 1.916     strongly saddled FUNPIP
Cu[(CF3)8TpFPC] 1.926 1.924     exceptionally saddled OVEVAN
Ag[TpFPC] 1.943 1.964     saddled BAYSUR
Ag[Br8TpMePC] 1.983 1.983     strongly saddled FUNPOV
Au[TpFPC] 1.939 1.956     slightly saddled BAYSOL
Au[Br8TPFPC] 1.937 1.970     slightly saddled UCEXUX
Au[Br8TpSF5PC] 1.937 1.963     planar AGACAP
Au[(pCF3P)8TPC] 1.941 1.964     planar NISCEA
Au[(CF3)8TpFPC] 1.9505 1.935     planar LUHLUX
Au[I4TPFPC] 1.9145 1.935     almost planar EBOZAZ
Au[(CF3)4TPFPC] 1.935 1.935     planar CEBVEN
a

Abbreviations: TDCPP = meso-tris(2,6-dichlorophenyl)corrolato; TPFPC = meso-tris(pentafluorophenyl)corrolato; TPC = meso-triphenylcorrolato; TpXPC = meso-tris(p-X-phenyl)corrolato.

b

N1 and N4 refer to the two nitrogens within the bipyrrole unit of the corrole; N2 and N3 refer to the other two nitrogens.

c

M–Nplane refers to the displacement of the M atom from the best-fit plane of the four central nitrogens.

d

L refers to the axial ligand(s).