Crystallography Open Database

Information card for entry 7242556

Preview

Coordinates	7242556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cd N2 O5.5
Calculated formula	C22 H16 Cd N2 O5.5
Title of publication	Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission
Authors of publication	Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3094 - 3098
a	10.1841 ± 0.0003 Å
b	9.5035 ± 0.0004 Å
c	21.6676 ± 0.0011 Å
α	90°
β	91.787 ± 0.004°
γ	90°
Cell volume	2096.07 ± 0.15 Å³
Cell temperature	288.63 ± 0.1 K
Ambient diffraction temperature	288.63 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
265944 (current)	2021-06-05	cif/ Updating files of 7242556 Original log message: Adding full bibliography for 7242556.cif.	7242556.cif
263423	2021-03-30	cif/ Adding structures of 7242556 via cif-deposit CGI script.	7242556.cif