Crystal structure determination of molecular compounds from conventional powder diffraction data: Trimeric silver(I) 3,5-dimethylpyrazolate

Powder Diffraction

Volumn 13, Issue 1, 1998, Pages 35-40

  Masciocchi, N ^a   Cairati, P ^a   Sironi, A ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

Ab initio structure determination from powder data; Silver(I) 3,5 dimethylpyrazolate

Indexed keywords

CRYSTAL STRUCTURE; DIFFRACTION; SINGLE CRYSTALS; X RAY POWDER DIFFRACTION;

AB INITIO STRUCTURE; CRYSTAL STRUCTURE DETERMINATION; GEOMETRICAL MODELING; LABORATORY DATUM; LIGAND BRIDGING; MOLECULAR COMPOUNDS; POWDER DIFFRACTION; SILVERS (I);

SILVER;

EID: 0032367009     PISSN: 08857156     EISSN: 19457413     Source Type: Journal    
DOI: 10.1017/S0885715600009738     Document Type: Article

References (25)

1. Altomare, A., Burla, M. C., Cascarano, G., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., and Polidori, G. (1995). "EXTRA: A program for extracting structure-factor amplitudes from powder diffraction data," J. Appl. Crystallogr. 28, 842-846.
2. Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G., and Camalli, M. (1994). "SIRPOW.92 - A program for automatic solution of crystal structures by direct methods optimized for powder data," J. Appl. Crystallogr. 27, 435-436.
3. 4 (Hdppz = 3, 5-diphenylpyrazole)," Inorg. Chem. 33, 1458-1463.
4. 8]," Inorg. Chem. 30, 4347-4353.
5. 2Rh(COD)," J. Chem. Soc., Dalton Trans (in press).
6. De Wolff, P. M. (1968). "A simplified criterion for the reliability of a powder pattern indexing," J. Appl. Crystallogr. 1, 108-113.
7. Dollase, W. A. (1986). "Correction of intensities for preferred orientation in powder diffractometry: Application of the March model," J. Appl. Crystallogr. 19, 267-272.
8. 3," Can. J. Chem. 68, 1444-1449.
9. Jansen, E., Schäfer, W., and Will, G. (1988). "Profile fitting and the two-stage method in neutron powder diffractometry for structure and texture analysis." J. Appl. Crystallogr. 21, 228-239.
10. Kempster, C. J. E., and Lipson, H. (1972). "A rapid method for assessing the number of molecules in the unit cell of an organic crystal," Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 28, 3674-3675.
11. La Monica, G., and Ardizzoia, G. A. (1997). Progress in Inorganic Chemistry, 46, 151-238.
12. Larson, A. C., and Von Dreele, R. B. (1994). "GSAS: General Structure Analysis System," LANSCE, MS-H805, Los Alamos National Laboratory, Los Alamos, NM 87545.
13. 6 by X-ray powder diffraction," Mater. Res. Bull. 23, 447-452.
14. Masciocchi, N. (1995). "Solving crystal structures from powder diffraction data: Patterson, geometrical modelling, trial-and-error and maximum entropy methods," Ricerca Scientifica ed Educazione Permanente, University of Milan Ed. 98, 115-140.
15. Masciocchi, N., Moret, M., Cairati, P., Sironi, A., Ardizzoia, G. A., and La Monica, G. (1994). "The multiphase nature of the Cu(pz) and Ag(pz) (Hpz = pyrazole) systems: selective syntheses and ab initio X-ray powder diffraction structural characterization of copper(I) and silver(I) pyrazolates," J. Am. Chem. Soc. 116, 7668-7676.
16. 2 (Hdmpz = 3, 5-dimethylpyrazolate)," Inorg. Chem. 36, 449-454.
17. Pawley, G. S. (1981). "Unit-cell refinement from powder diffraction scans," J. Appl. Crystallogr. 14, 357-361.
18. Raptis, R. G., Murray, III, H. H., and Fackler, Jr., J. P. (1987). "The synthesis and crystal structure of a novel gold(I)-pyrazolate hexamer containing an 18-membered inorganic ring," J. Chem. Soc. Chem. Commun. 737-739.
19. Riello, P., Fagherazzi, G., and Canton, P. (1995). "X-ray Rietveld analysis with a physically based background," J. Appl. Crystallogr. 28, 115-120.
20. Smith, G. S. (1976). "Estimating unit cell volumes from powder diffraction data: The triclinic case," J. Appl. Crystallogr. 9, 424-426.
21. Smith, G. S. (1977). "Estimating the unit cell volume from one line in a powder diffraction pattern: the triclinic case," J. Appl. Crystallogr. 10, 252-255.
22. N: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing," J. Appl. Crystallogr. 12, 60-65.
23. 3," J. Appl. Crystallogr. 20, 79-83.
24. Toraya, H. (1986). "Whole-powder-pattern fitting without reference to a structural model: application to X-ray powder data," J. Appl. Crystallogr. 19, 440-447.
25. Werner, P.-E., Eriksson, L., and Westdahl, M. (1985). "TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries," J. Appl. Crystallogr. 18, 367-370.