Crystallography Open Database

Information card for entry 7225592

Preview

Coordinates	7225592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cd Cl2 N4 O4
Calculated formula	C40 H32 Cd Cl2 N4 O4
Title of publication	Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization
Authors of publication	Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	38
Pages of publication	7347
a	11.756 ± 0.003 Å
b	18.059 ± 0.005 Å
c	23.342 ± 0.006 Å
α	90°
β	104.947 ± 0.012°
γ	90°
Cell volume	4788 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
187028 (current)	2016-10-08	cif/ Updating files of 7225592, 7225593 Original log message: Adding full bibliography for 7225592--7225593.cif.	7225592.cif
183853	2016-06-23	cif/ Adding structures of 7225592, 7225593 via cif-deposit CGI script.	7225592.cif