Crystallography Open Database

Information card for entry 4349760

Preview

Coordinates	4349760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H9 Cl3 F13 N4 O Zn0.5
Calculated formula	C29.5 H9 Cl3 F13 N4 O Zn0.5
Title of publication	β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies
Authors of publication	Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	9
Pages of publication	1539
a	10.529 ± 0.0005 Å
b	11.8506 ± 0.0004 Å
c	12.667 ± 0.0005 Å
α	92.344 ± 0.003°
β	100.789 ± 0.004°
γ	103.221 ± 0.003°
Cell volume	1505.63 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2409
Weighted residual factors for all reflections included in the refinement	0.2603
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
235804 (current)	2019-11-24	cif/ Adding structures of 4349760, 4349761, 4349762 via cif-deposit CGI script.	4349760.cif