APPLICATION OF 2 DIFFERENT ASPHERICAL-ATOM FORMALISMS TO LOW-TEMPERATURE DIFFRACTION DATA ON PYRIDINIUM-1-DICYANOMETHYLIDE (C-8D5N-3)

被引:30
作者
BAERT, F
COPPENS, P
STEVENS, ED
DEVOS, L
机构
[1] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
[2] UNIV SCI & TECH LILLE,CNRS,DYNAM CRISTAUX MOLEC LAB 465,F-59655 VILLENEUVE DASCQ,FRANCE
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1982年 / 38卷 / JAN期
关键词
D O I
10.1107/S0567739482000266
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:143 / 151
页数:9
相关论文
共 22 条
[1]   VALENCE ELECTRON-DISTRIBUTION IN CUBIC TETRACYANOETHYLENE BY COMBINED USE OF X-RAY AND NEUTRON-DIFFRACTION [J].
BECKER, P ;
COPPENS, P ;
ROSS, FK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (23) :7604-7609
[2]   EXTINCTION WITHIN LIMIT OF VALIDITY OF DARWIN TRANSFER EQUATIONS .2. REFINEMENT OF EXTINCTION IN SPHERICAL CRYSTALS OF SRF2 AND LIF [J].
BECKER, PJ ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAR) :148-153
[3]   CRYSTAL STRUCTURE OF PYRIDINIUM DICYANOMETHYLIDE C8H5N3 [J].
BUGG, C ;
SASS, RL .
ACTA CRYSTALLOGRAPHICA, 1965, 18 :591-&
[4]   ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .10. JOINT X-RAY AND NEUTRON DATA REFINEMENT OF STRUCTURAL AND CHARGE-DENSITY PARAMETERS [J].
COPPENS, P ;
BOEHME, R ;
PRICE, PF ;
STEVENS, ED .
ACTA CRYSTALLOGRAPHICA SECTION A, 1981, 37 (NOV) :857-863
[5]  
COPPENS P, 1977, ISRAEL J CHEM, V16, P163
[6]   A NEUTRON-DIFFRACTION STUDY OF PYRIDINIUM-1-DICYANOMETHYLIDE, C8D5N3, AT 294-K AND 118-K [J].
DEVOS, L ;
BAERT, F ;
FOURET, R ;
THOMAS, M .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1980, 36 (AUG) :1807-1811
[7]   ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .6. TESTING ASPHERICAL ATOM REFINEMENTS ON SMALL-MOLECULE DATA SETS [J].
HANSEN, NK ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (NOV) :909-921
[8]  
HAREL, 1975, ACTA CRYSTALLOGR B, V31, P162
[9]  
HIRSHFELD FL, 1977, ISRAEL J CHEM, V16, P198
[10]   BONDED-ATOM FRAGMENTS FOR DESCRIBING MOLECULAR CHARGE-DENSITIES [J].
HIRSHFELD, FL .
THEORETICA CHIMICA ACTA, 1977, 44 (02) :129-138