Crystallography Open Database

Information card for entry 1507492

Preview

Coordinates	1507492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H72 F18 Li6 O34 S6
Calculated formula	C38 H72 F18 Li6 O34 S6
Title of publication	Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length
Authors of publication	Rhodes, Christopher P.; Khan, Masood; Frech, Roger
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2002
Journal volume	106
Journal issue	40
Pages of publication	10330
a	13.11 ± 0.003 Å
b	16.496 ± 0.004 Å
c	19.382 ± 0.003 Å
α	104.55 ± 0.015°
β	100.628 ± 0.016°
γ	111.661 ± 0.015°
Cell volume	3587.2 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507492.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507492.cif
54191	2012-04-21	cif/ Adding structures of 1507492 via cif-deposit CGI script.	1507492.cif