NO orientation and tilting in (nitrosyl)iron(II) deuteroporphyrin IX

Inorganic Chemistry

Volumn 42, Issue 14, 2003, Pages 4259-4261

  Wyllie, Graeme R A ^a   Scheidt, W Robert ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

(NITROSYL)IRON DEUTEROPORPHYRIN; NITRIC OXIDE; PORPHYRIN; PORPHYRIN DERIVATIVE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; LIGAND BINDING; SPECTROSCOPY; X RAY;

CRYSTALLOGRAPHY, X-RAY; DEUTERIUM; DEUTEROPORPHYRINS; FERROUS COMPOUNDS; HEME; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITRIC OXIDE;

EID: 0038714063     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic034364e     Document Type: Article

References (19)

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2. Wyllie, G. R. A.; Scheidt, W. R. Chem. Rev. 2002, 102, 1067.
3. p, a pyrrolic nitrogen. Abbreviations for all proteins are provided as part of the Supporting Information.
4. 2Me, Me.
5. n Enemark and Feltham notation. Enemark, J. H.; Feltham, R. D. Coord. Chem. Rev. 1974, 13, 339 and updated by Westcott and Enemark (Westcott, B. L. Enemark, J. H. In Inorganic Electronic Structure and Spectroscopy; Lever, A. B. P., Solomon, E. I., Eds.; Wiley-Interscience Publications: New York, 1999; Vol. II (Applications and Case Studies), pp 403-450).
6. n Enemark and Feltham notation. Enemark, J. H.; Feltham, R. D. Coord. Chem. Rev. 1974, 13, 339 and updated by Westcott and Enemark (Westcott, B. L. Enemark, J. H. In Inorganic Electronic Structure and Spectroscopy; Lever, A. B. P., Solomon, E. I., Eds.; Wiley-Interscience Publications: New York, 1999; Vol. II (Applications and Case Studies), pp 403-450).
7. n Enemark and Feltham notation. Enemark, J. H.; Feltham, R. D. Coord. Chem. Rev. 1974, 13, 339 and updated by Westcott and Enemark (Westcott, B. L. Enemark, J. H. In Inorganic Electronic Structure and Spectroscopy; Lever, A. B. P., Solomon, E. I., Eds.; Wiley-Interscience Publications: New York, 1999; Vol. II (Applications and Case Studies), pp 403-450).
8. Scheidt, W. R.; Duval, H. F.; Neal, T. J.; Ellison, M. K. J. Am. Chem. Soc. 2000, 122, 4651.
9. Wyllie, G. R. A.; Schulz, C. E.; Scheidt, W. R. Inorg. Chem., submitted.
10. Hoffmann et al. (Hoffmann, R.; Chen, M. M. L.; Elian, M.; Rossi, A. R.; Mingos, D. M. P. Inorg. Chem. 1974, 13, 2666) suggested the likelihood of tilts toward the less basic equatorial ligands in another context.
11. Scheidt, W. R.; Frisse, M. E. J. Am. Chem. Soc. 1975, 97, 17.
12. Mu, X. H.; Kadish, K. M. Inorg. Chem. 1988, 27, 4720.
13. Yoshimura, T. Bull. Chem. Soc. Jpn. 1978, 51, 1237.
14. 3. Final R [I > 2σ]: R1 = 0.0594, wR2 = 0.1460. Final R indices (all data): R1 = 0.0738, wR2 = 0.1543, GOF = 1.050.
15. Bohle, D. S.; Debrunner, P. G.; Fitzgerald, J.; Hansert, B.; Hung, C.-H.; Thompson, A. J. J. Chem. Soc., Chem. Commun. 1997, 91.
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17. Martz, E. Protein Explorer Software, http://proteinexplorer.org (1999-2002), http://www.pdb.org.
18. IV (nitrogen of pyrrole ring IV).
19. An expanded version of Table 2 is available as Table S1 of the Supporting Information. The full table contains bibliographic information for each structure, a list of abbreviations, complete bond lengths and angles for the FeNO unit of each protein, and the orientation of the nitrosyl ligand with respect to the porphyrin core.