Crystallography Open Database

Information card for entry 7225593

Preview

Coordinates	7225593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cd Cl2 N2 O2
Calculated formula	C20 H16 Cd Cl2 N2 O2
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	27.982 ± 0.008 Å
b	12.703 ± 0.004 Å
c	16.341 ± 0.005 Å
α	90°
β	125.27 ± 0.006°
γ	90°
Cell volume	4742 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	7225593.cif
183853	2016-06-23	cif/ Adding structures of 7225592, 7225593 via cif-deposit CGI script.	7225593.cif