A simple algorithm for the assignment of coordination polyhedron to seven-coordinate species

New Journal of Chemistry

Volumn 21, Issue 9, 1997, Pages 961-967

  Maseras, Feliu ^a   Eisenstein, Odile ^a  

^a CNRS   (France)

Author keywords

Capped octahedron; Capped trigonal prism; Pentagonal bipyramid; Sevenfold coordination

Indexed keywords

EID: 0000237194     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (41)

1. (a) Drew M. G. B., Prog. Inorg. Chem., 1977, 23, 67.
2. (b) Melnik M., Sharrock P., Coord. Chem. Rev., 1985, 65, 49.
3. (a) Allen F. H., Davies J. E., Galloy J. J., Johnson O., Kennard O., MacRae C. F., Mitchell E. M., Mitchell G. F., Smith J. M., Watson D. G., J. Chem. Inf. Comput. Sci., 1991, 31, 187.
4. (b) Allen F. H., Kennard O., Chemical Design Automation News, 1993, 8, 31.
5. (a) Christe K. O., Curtis E. C., Dixon D. A., Mercier H. P., Sanders J. C. P., Schrobilgen G. J., J. Am. Chem. Soc., 1991, 113, 3351.
6. (b) Christe K. O., Dixon D. A., Mahjaub A. R., Mercier H. P. A., Sanders J. O. P., Seppelt K., Schrobilgen G. J., Wilson W. W., J. Am. Chem. Soc., 1993, 115, 2696.
7. (c) Christe K. O., Dixon D. A., Sanders J. C. P., Schrobilgen G. J., Wilson W. W., J. Am. Chem. Soc., 1993, 115, 9461.
8. (a) Mahjaub A.-R., Drews R., Seppelt K., Angew. Chem. Int. Ed. Engl., 1992, 31, 1036.
9. (b) Giese S., Seppelt K., Angew. Chem. Int. Ed. Engl., 1994, 33, 461.
10. Maseras F., Li X.-K., Koga N., Morokuma K., J. Am. Chem. Soc., 1993, 115, 10974.
11. Minkwitz R., Angew. Chem. Int. Ed. Engl., 1994, 33, 1941.
12. Vogt T., Fitch A. N., Cockroft J. K., Science, 1994, 263, 1265.
13. (a) Kepert D. L., Prog. Inorg. Chem., 1979, 25, 41.
14. (b) Kepert D. L., Inorganic Stereochemistry, Springer-Verlag, Berlin, 1982.
15. Hoffmann R., Beier B. F., Muetterties E. L., Rossi A. R., Inorg. Chem., 1977, 16, 511.
16. (a) Muetterties E. L., Tetrahedron, 1974, 30, 1595.
17. (b) Muetterties E. L., Guggenberger L. J., J. Am. Chem. Soc., 1974, 96, 1748.
18. Kouba J. K., Wreford S. S., Inorg. Chem., 1976, 15, 1465.
19. This averaging method does not provide the best possible values in a rigorous mathematical sense, being exact only as far as the capping ligand is not allowed to move away from the symmetry axis. In any case, it provides a good approximation to the optimal values, its accuracy increasing as the deviation gets smaller.
20. Thompson H. B., Bartell L. S., Inorg. Chem., 1968, 3, 488.
21. A copy of the program is provided free of charge upon request to the authors, in printed form (23 pages) or e-mail. It can also be freely retrieved from http://w3lsdsms.univ-montp2.fr/feliuM/hepta.
22. Arliguie T., Lance M., Nierlich M., Vigner J., Ephritikhine M., J. Chem. Soc., Chem. Commun., 1994, 847.
23. Arnaudet L., Bougon R., Ban B., Lance M., Navaza A., Nierlich M., Vigner J., J. Fluorine Chem., 1994, 67, 17.
24. Hsu S. C. N., Yeh W.-Y., Chiang M. Y., J. Organomet. Chem., 1995, 492, 121.
25. Atwood J. L., Bott S. G., Junk P. C., May M. T., J. Organomet. Chem., 1995, 487, 7.
26. Lane T. M., Grubisha D. S., Hue C., Bennet D. W., J. Mol. Struct., 1994, 328, 133.
27. Drew M. G. B., Baker P. K., Armstrong E. M., Frase S. G., Muldoon D. J., Lavery A. J., Shawcross A. S., Polyhedron, 1995, 14, 617.
28. White J. P. III, Deng H., Boyd E. P., Gallucci J., Shore S. G., Inorg. Chem., 1994, 33, 1685.
29. Shubnell A. J., Kosnic E. J., Squattrito P. J., Inorg. Chim. Acta, 1994, 216, 101.
30. Masciocchi N., Moret M., Ardizzoia G. A., La Monica G., Acta Cryst., 1995, C51, 201.
31. Baker P. K., Durrant M. C., Goerdt B., Harris S. D., Hughes D. L., Richards R. L., J. Organomet. Chem., 1994, 469, C22.
32. Brewer M., Khasnis D., Buretea M., Berardini M., Emger T. J., Brennan J. G., Inorg. Chem., 1994, 33, 2743.
33. Sobot P., Utko J., Szafert S., Inorg. Chem., 1994, 33, 5203.
34. Avens L. R., Bott S. G., Clark D. L., Sattelberger A. P., Watkin G. G., Zwick B. D., Inorg. Chem., 1994, 33, 2248.
35. Ojala W. H., Lu L. K., Albers K. E., Gleason W. B., Richardson T. I., Lovrien R. E., Sudbeck E. A., Acta Cryst., 1994, B50, 684.
36. Baker P. K., Hursthouse M. B., Karaulov A. I., Lavery A. J., Malik K. M. A., Muldoon D. J., Shawcross A., J. Chem. Soc., Dalton Trans., 1994, 3493.
37. Amirkhanov V. M., Kapshuk A. A., Kramarenko F. G., Skopenko V. V., Zh. Neorg. Khim., 1994, 39, 1155.
38. Gindelberger D. E., Arnold J., Inorg. Chem., 1994, 33, 6293.
39. Li Z.-B., Chen C.-Z., Gao D.-S., Huang X.-Y., Li D., Jiegon Huaxue (J. Struct. Chem.), 1995, 14, 61.
40. Evans W. J., Shreeve J. L., Ziller J. W., Doedens R. J., Inorg. Chem., 1995, 34, 576.
41. Ruhlandt-Senge K., Davis K., Dalal S., Englich U., Senge M. O., Inorg. Chem., 1995, 34, 2587.