Crystallography Open Database

Information card for entry 1518560

Preview

Coordinates	1518560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 I O3 Rb
Calculated formula	C7 H4 I O3 Rb
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	19.6879 ± 0.0003 Å
b	4.001 Å
c	12.0832 ± 0.0002 Å
α	90°
β	105.805°
γ	90°
Cell volume	915.83 ± 0.02 Å³
Cell temperature	106 K
Ambient diffraction temperature	106 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	1518560.cif
130754	2015-02-04	cif/ Updating files of 1518557, 1518558, 1518559, 1518560, 1518561 Original log message: Adding full bibliography for 1518557--1518561.cif.	1518560.cif
129923	2015-01-17	cif/ Adding structures of 1518557, 1518558, 1518559, 1518560, 1518561 via cif-deposit CGI script.	1518560.cif