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2a was shown recently by single-crystal X-ray diffraction to have no axial interactions.
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Historically, paramagnetic NMR data were reported so that the sign of the chemical shift corresponded to the field (upfield shifts were positive). In this report, the current standard convention is used (upfield shifts are negative). The equations stated here correspond to this convention.
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As reported in ref 26, the equation predicts the incorrect sign for Fe(III) porphyrin systems (see Supporting Information). The omission of the minus sign has been corrected in the equation reported here.
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0007938438
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(c) M = W, R = Ph, ∠ = 10.7°: Cotton, F. A.; Wang, W. Inorg. Chem. 1984, 23, 1604.
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88
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0041104314
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(d) M = Co, R = Ph, ∠ = 5.9°: Davies, J. E.; Rivera, A. V.; Sheldrick, G. M. Acta Crystallogr. 1977, B33, 156.
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Davies, J.E.1
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89
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4243212316
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(e) M = Rh, R = Ph, ∠ = 1.2°: Simmons, C. J.; Clearfield, A.; Sun, Y. Inorg. Chim. Acta 1986, 121, L3.
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Simmons, C.J.1
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90
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33751279213
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(f) M = Cu, R = Ph, ∠ = 4.5°: Speier, G.; Fülöp, V. J. Chem. Soc., Dalton Trans. 1989, 2331.
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Speier, G.1
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93
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85088229910
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ref 48c
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3Ph, ∠ = 42°: ref 48c.
-
-
-
-
95
-
-
0000035619
-
-
(e) M = Cu, R = 2,6-MeO-Ph, ∠ = 58°: Erre, L. S.; Micera, G.; Piu, P.; Cariati, F.; Ciani, G. Inorg. Chem. 1985, 24, 2297.
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Erre, L.S.1
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Cariati, F.4
Ciani, G.5
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96
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2542602855
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note
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4 units were present in the crystal.
-
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98
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0013343884
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Arafa, I. M.; Goff, H. M.; David, S. S.; Murch, B. P.; Que, L., Jr. Inorg. Chem. 1987, 26, 2779.
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Arafa, I.M.1
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Que Jr., L.5
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100
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37049131791
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(b) Mitchell, R. W.; Spencer, A.; Wilkinson, G. J. Chem. Soc., Dalton Trans. 1973, 846.
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Mitchell, R.W.1
Spencer, A.2
Wilkinson, G.3
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101
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84949126507
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Rempel, G. A.; Legzdins, P.; Smith, H.; Wilkinson, G. Inorg. Synth. 1972, 13, 90.
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Rempel, G.A.1
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Smith, H.3
Wilkinson, G.4
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105
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0000284980
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Barral, M. C.; Jiménez-Aparicio, R.; Rial, C.; Royer, E.; Saucedo, M. J.; Urbanos, F. A. Polyhedron 1990, 9, 1723.
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Barral, M.C.1
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Saucedo, M.J.5
Urbanos, F.A.6
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Chisholm, M. H.; Folting, K.; Huffman, J. C.; Kirkpatrick, C. C. Inorg. Chem. 1984, 23, 1021.
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Chisholm, M.H.1
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