Crystallography Open Database

Information card for entry 4349761

Preview

Coordinates	4349761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb
Calculated formula	C55 H11 Cl2 Co D18 F20 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	15.8764 ± 0.0005 Å
b	19.4336 ± 0.0005 Å
c	22.97 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7087.1 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	10
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
235804 (current)	2019-11-24	cif/ Adding structures of 4349760, 4349761, 4349762 via cif-deposit CGI script.	4349761.cif