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. 2020 Feb 14;10(12):6900–6918. doi: 10.1039/c9ra08504a

Selected bond lengths (Å) and angles (°) for [CoII(TMPP)(4-CNpy)]·CHCl3 (1), [CoII(TClPP)(4-CNpy)] (2) and several related porphyrinic and non-porphyrinic complexes.

Complex Porphyrin core deformation typea M–Npb M–XLc M–PCd Ref.
Co( ii ) porphyrin complexes
[CoII(TPP)]e +++Ruf 1.923 0.050 48
[CoII(TPP)]e +++Ruf 1.949 0.009 51
[CoII(TPP)(NO2)(Lut)]e,f ++Ruf 1.959(2) 2.017(2)(Lut), 1.925(2) (NO2) 0.044 49
[CoII(TPP)(1-MeIm)] e,g −Ruf 1.978(3) 2.157(3) 0.139 52
[CoII(TPP)(pip)2]e,h Planar 1.987 2.436(2) 0.000 50
[CoII(TCPP)(py)2]i ++Ruf 1.961 1.958 0.000 53
[CoII(OEP)(DMAP)]j,k Planar 1.981(3) 2.191(2) 0.156 54
[CoII(TPP)(pipz-S)]l ++−Sad, −Ruf 1.989(5) 2.241(5) 0.134 55
[CoII(TMPP)(4-CNpy)]·CHCl3 (1) Ruf, +sad 1.984(3) 2.209(3) 0.1404(8) This work
[CoII(TClPP)(4-CNpy)] (2) ++Ruf, +sad 1.977(3) 2.196(3) 0.1440(7) This work
4-Cyanopyridine metalloporphyrins
[NiII(PFPP)(4-CNpy)2]m Planar 2.283 2.220 56
[FeIII(TPP)(4-CNpy)2]e +++Ruf, sad 1.952(4) 1.996/2.008 21
[FeII(TMP)(4-CNpy)2]n Planar 1.992 1.996 22
[{RhIII(OEP)}22-4-CNpy)]j Planar 2.032(4) 2.273(4) 22
[ZnII(TBAP)(4-CNpy)]o +Ruf, +sad 2.060(6) 2.159(2) 57
4-Cyanopyridine-Co( ii ) non-porphyrinic complexes
[CoII(SO4)(4-CNpy)2(H2O)3] 2.135(1)/2.200(1) 58
[CoII(L1)2(4-CNpy)2]p 2.159 59
{[CoII(μ-Br)2(4-CNpy)2]}n 2.202 60
a

See the description of different types of the porphyrin core deformation in the text, planar designate a planar porphyrin core. +: moderate, ++: important, +++: very important and “−”: weak deformation.

b

M–Np = average equatorial distance between the center metal and the nitrogen atoms of the pyrroles.

c

M–XL = distance between the metal atom and the coordinated atoms of the axial ligands.

d

M–PC = distance between the metal atom and the mean plane made by the 24-atom core of the porphyrin (PC).

e

TPP = meso-tetraphenylporphyrinato.

f

Lut = 2,6-lutidine.

g

1-MeIm = 1-methylimidazole.

h

pip = piperidine.

i

TCPP = meso-tetra(4-carboxyphenyl)porphyrinato.

j

OEP = octaethylporphyrin.

k

DMAP = 4-(dimethylamino)pyridine.

l

pipz-S = (piperazin-1-yl)sulfonyl)naphthalen-1-amine.

m

PFPP = meso-tetra(pentafluorophenyl)porphyrinato.

n

TMP = meso-tetramesitylporphyrinato.

o

TPBP = meso-{tetrakis-[4-(benzoyloxy)phenyl]porphyrinato}.

p

L1 = 3,5-di-t-butylbenzosemiquinonato.