Crystallography Open Database

Information card for entry 1561408

Preview

Coordinates	1561408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Cd2.5 N5 O16.5
Calculated formula	C36 H31 Cd2.5 N5 O16.5
Title of publication	A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties
Authors of publication	Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	241
Pages of publication	105 - 109
a	25.7374 ± 0.0004 Å
b	13.3941 ± 0.0002 Å
c	15.1777 ± 0.0003 Å
α	90°
β	92.727 ± 0.002°
γ	90°
Cell volume	5226.27 ± 0.15 Å³
Cell temperature	293.67 ± 0.1 K
Ambient diffraction temperature	293.67 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1561408.html