Crystallography Open Database

Information card for entry 1518557

Preview

Coordinates	1518557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 I Li O3
Calculated formula	C7 H4 I Li O3
Title of publication	Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).
Authors of publication	Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki
Journal of publication	The journal of physical chemistry. B
Year of publication	2015
Journal volume	119
Journal issue	4
Pages of publication	1768 - 1777
a	6.65059 ± 0.00012 Å
b	6.89548 ± 0.00017 Å
c	18.4951 ± 0.0003 Å
α	81.559 ± 0.0012°
β	84.29 ± 0.001°
γ	84.975 ± 0.0014°
Cell volume	832.52 ± 0.03 Å³
Cell temperature	108 K
Ambient diffraction temperature	108 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.301
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1518557.cif
130754	2015-02-04	cif/ Updating files of 1518557, 1518558, 1518559, 1518560, 1518561 Original log message: Adding full bibliography for 1518557--1518561.cif.	1518557.cif
129923	2015-01-17	cif/ Adding structures of 1518557, 1518558, 1518559, 1518560, 1518561 via cif-deposit CGI script.	1518557.cif