Crystallography Open Database

Information card for entry 4346696

Preview

Coordinates	4346696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O4 Zn
Calculated formula	C14 H12 N2 O4 Zn
Title of publication	Reversible Single-Crystal to Single-Crystal Transformations of a Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in Coordination Sphere and Network Dimensionality upon Dehydration and Rehydration.
Authors of publication	Wu, Jing-Yun; Chang, Ching-Yun; Tsai, Chi-Jou; Lee, Jey-Jau
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10918 - 10924
a	8.1207 ± 0.0003 Å
b	12.9053 ± 0.0005 Å
c	13.7086 ± 0.0005 Å
α	90°
β	111.091 ± 0.004°
γ	90°
Cell volume	1340.42 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0437
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231929 (current)	2019-11-23	cif/ Adding structures of 4346696 via cif-deposit CGI script.	4346696.cif