Crystallography Open Database

Information card for entry 4322434

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Structure parameters

Formula	C110 H240 Cl2 Li20 N16 O28 S8
Calculated formula	C110 H240 Cl2 Li20 N16 O28 S8
Title of publication	Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2
Authors of publication	Justin K. Brask; Tristram Chivers; Glenn P. A. Yap
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5588 - 5592
a	18.557 ± 0.0012 Å
b	15.7307 ± 0.001 Å
c	28.0629 ± 0.0018 Å
α	90°
β	107.381 ± 0.001°
γ	90°
Cell volume	7817.9 ± 0.9 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4322434.cif
179327	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/24.	4322434.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322434.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322434.cif
20706	2011-06-12	../uploads/cif-deposit/cod/cif Adding structures of 4322434 via cif-deposit CGI script.	4322434.cif