Crystallography Open Database

Information card for entry 7035184

Preview

Coordinates	7035184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Cd N2 O4 S2
Calculated formula	C27 H22 Cd N2 O4 S2
Title of publication	Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution.
Authors of publication	Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	26
Pages of publication	11852 - 11859
a	11.566 ± 0.001 Å
b	11.566 ± 0.001 Å
c	16.035 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1857.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
143478 (current)	2015-07-11	cif/ Updating files of 7035184, 7035185 Original log message: Adding full bibliography for 7035184--7035185.cif.	7035184.cif
136934	2015-05-19	cif/ Adding structures of 7035184, 7035185 via cif-deposit CGI script.	7035184.cif