Crystallography Open Database

Information card for entry 4319170

4319169 << 4319170 >> 4319171

Preview

Coordinates	4319170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 Al Li N4 O6 S2
Calculated formula	C24 H52 Al Li N4 O6 S2
Title of publication	Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2
Authors of publication	Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	384 - 388
a	20.159 ± 0.005 Å
b	10.354 ± 0.003 Å
c	15.833 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3304.8 ± 1.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179271 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91.	4319170.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319170.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319170.cif
15902	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319170 via cif-deposit CGI script.	4319170.cif