Crystallography Open Database

Information card for entry 4511282

Preview

Coordinates	4511282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H62 F2 N8 O13 Zn2
Calculated formula	C73 H58 F2 N8 O13 Zn2
Title of publication	Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group
Authors of publication	Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3309
a	13.068 ± 0.003 Å
b	15.168 ± 0.003 Å
c	17.457 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3460.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.142
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
179659 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12.	4511282.cif
119036	2014-07-05	cif/ Updating files of 4511278, 4511279, 4511280, 4511281, 4511282 Original log message: Adding full bibliography for 4511278--4511282.cif.	4511282.cif
116310	2014-06-08	cif/ Adding structures of 4511278, 4511279, 4511280, 4511281, 4511282 via cif-deposit CGI script.	4511282.cif