Crystallography Open Database

Information card for entry 4349762

Preview

Coordinates	4349762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H5 Co D18 F26 N4 O11 P3 Yb
Calculated formula	C54 H5 Co D18 F26 N4 O11 P3 Yb
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	24.4325 ± 0.0006 Å
b	10.159 ± 0.0002 Å
c	24.4872 ± 0.0006 Å
α	90°
β	92.014 ± 0.002°
γ	90°
Cell volume	6074.2 ± 0.2 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	9
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
235804 (current)	2019-11-24	cif/ Adding structures of 4349760, 4349761, 4349762 via cif-deposit CGI script.	4349762.cif