X-Ray crystal and ab initio structure of 3-ethynylcyclopropene: a curiously short carbon–carbon double bond

1998 ◽  
pp. 1137-1138 ◽  
Author(s):  
Kim K. Baldridge ◽  
Bluegrass Biggs ◽  
Robert D. Gilbertson ◽  
Michael M. Haley ◽  
Dieter Bläser ◽  
...  
Keyword(s):  
Double Bond ◽  
Ab Initio ◽  
X Ray ◽  
Carbon Double Bond ◽  
Ab Initio Structure ◽  
Short Carbon

ChemInform Abstract: X-Ray Crystal and ab initio Structure of 3-Ethynylcyclopropene: A Curiously Short Carbon-Carbon Double Bond.

ChemInform ◽  
2010 ◽  
Vol 29 (38) ◽  
pp. no-no
Author(s):  
K. K. BALDRIDGE ◽  
B. BIGGS ◽  
D. BLAESER ◽  
R. BOESE ◽  
R. D. GILBERTSON ◽  
...  
Keyword(s):  
Double Bond ◽  
Ab Initio ◽  
X Ray ◽  
Carbon Double Bond ◽  
Ab Initio Structure ◽  
Short Carbon

Ab initio structure determination of nanosized θ-KAlF4 with edge-sharing AlF6 octahedra

2009 ◽  
Vol 24 (3) ◽  
pp. 185-190 ◽  
Author(s):  
A. Le Bail
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Fluorite Structure ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
Orthorhombic Unit Cell ◽  
Common Edge ◽  
X Ray ◽  
Ab Initio Structure

θ-KAlF4 is a new nanosized potassium tetrafluoroaluminate metastable polymorph (13×18×55 nm3). The crystal structure is solved ab initio from X-ray powder diffraction data in direct space [orthorhombic unit cell with a=8.3242(3) Å, b=7.2502(3) Å, c=11.8875(4) Å, V=717.44(5) Å3, Z=8, and space group Pnma]. This new structure type, unique in the whole AIMIIIF4 family, is related to the fluorite structure and consists of AlF6 octahedra linked via a common edge forming a bioctahedral motif which is trans-connected through the corner-shared fluorine, resulting in the formation of infinite ladderlike double file of octahedra ([Al2F8]2−)n running along the b axis.

Ab initio structure determination of anhydrous sodium alendronate from laboratory powder X-ray diffraction data

2009 ◽  
Vol 98 (6) ◽  
pp. 2113-2121 ◽  
Author(s):  
Minakshi Asnani ◽  
K. Vyas ◽  
Apurba Bhattacharya ◽  
Surya Devarakonda ◽  
Santu Chakraborty ◽  
...  
Keyword(s):  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

Ab initio structure determination of In2H2(P2O7)(P4O12) from X-ray powder diffraction data

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
L. S. Ivashkevich ◽  
A. S. Lyakhov ◽  
A. F. Selevich ◽  
A. I. Lesnikovich
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Ab Initio Structure

AbstractThe crystal structure of In

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