Crystallography Open Database

Information card for entry 4511280

Preview

Coordinates	4511280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 F N4 O7 Zn
Calculated formula	C30 H27 F N4 O7 Zn
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	10.4408 ± 0.0008 Å
b	18.2171 ± 0.0012 Å
c	15.714 ± 0.0011 Å
α	90°
β	98.588 ± 0.007°
γ	90°
Cell volume	2955.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
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.	4511280.cif
119036	2014-07-05	cif/ Updating files of 4511278, 4511279, 4511280, 4511281, 4511282 Original log message: Adding full bibliography for 4511278--4511282.cif.	4511280.cif
116310	2014-06-08	cif/ Adding structures of 4511278, 4511279, 4511280, 4511281, 4511282 via cif-deposit CGI script.	4511280.cif