Sharing the π-bonding. An iron porphyrin derivative with trans, π- accepting axial ligands. Synthesis, EPR and Mossbauer spectra, and molecular structure of two forms of the complex nitronitrosyl(α,α,α,α-tetrakis(o- pivalamidophenyl)porphinato)ferrate(II)

Journal of the American Chemical Society

Volumn 119, Issue 27, 1997, Pages 6274-6283

  Nasri, Habib ^a,c   Ellison, Mary K ^a   Chen, Shuxian ^b   Huynh, Boi Hanh ^b   Scheldt, W Robert ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b EMORY UNIVERSITY   (United States)

^c FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

Author keywords

[No Author keywords available]

Indexed keywords

FERROUS ION; HEME; LIGAND; NITROGEN OXIDE; PORPHYRIN DERIVATIVE;

ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; COMPLEX FORMATION; CRYSTAL STRUCTURE; ELECTRON SPIN RESONANCE; INFRARED SPECTROMETRY; LIGAND BINDING; MOSSBAUER SPECTROSCOPY; SYNTHESIS; X RAY DIFFRACTION;

EID: 0030877766     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja963871a     Document Type: Article

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27. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
28. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
29. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
30. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
31. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
32. Programs used in this study include (a) MADNES routines for FAST data collection (J. W. Pflugrath, Cold Spring Harbor, and A. Messerschmidt, Max-Plank-Institute für Biochemie, Martinsried, unpublished) and data reduction the program ABSURD (I. Tickle, Birbeck College, and P. Evans, MRC, unpublished), (b) direct method program MULTAN (Main, P.; Hull, S. E.; Lessinger, L.; Germain, G.; Declerq, J. P.; Woolfson, M. M. MULTAN, a system of computer programs for the automatic solution of the crystal structures from X-ray diffraction data. Universities of York, U.K., and Louvain, Belgium), (c) Zalkin's FORDAP for difference Fourier syntheses, (d) local modified least-square refinement (Lapp, R. L.; Jacobson, R. A. ALLS, a generalized crystallographic least-squares program. National Technical Information Services IS-4708 UC-4, Springfield, VA), (e) Busing and Levy's ORFFE and ORFLS and Johnson's ORTEP2 and ORTEP3, (f) atomic form factors from: Cromer, D. T.; Mann, J. B. Acta Crystallogr., Sect. A 1968, 24, 321, real and imaginary corrections for anomalous dispersion in the form factor of iron and the potassium and the chlorine atoms from Cromer, D. T.; Liberman, D. J. J. Chem. Phys. 1970, 53, 1891, and scattering factors for hydrogen from Stewart, R. F.; Davidson, E. R.; Simpson, W. T. J. Chem. Phys. 1959, 42, 3175.
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