Crystallography Open Database

Information card for entry 7115011

Preview

Coordinates	7115011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.25 H68 Li3 N6 O P2 S2
Calculated formula	C29.23 H67.5 Li3 N6 O0.995 P2 S2
Title of publication	Steric effects on the mode of aggregation and reactivity of clusters formed from the lithiation of trisamidothiophosphates
Authors of publication	Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	19
Pages of publication	1922
a	24.145 ± 0.004 Å
b	16.462 ± 0.004 Å
c	23.405 ± 0.005 Å
α	90°
β	110.452 ± 0.014°
γ	90°
Cell volume	8716 ± 3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1805
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2325
Weighted residual factors for all reflections included in the refinement	0.3222
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115011.cif
118478	2014-06-30	cif/ Adding structures of 7115010, 7115011 via cif-deposit CGI script.	7115011.cif