Crystallography Open Database

Information card for entry 7245926

Preview

Coordinates	7245926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H69 Cd4 N6 O25
Calculated formula	C83 H69 Cd4 N6 O25
Title of publication	Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties
Authors of publication	Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling
Journal of publication	CrystEngComm
Year of publication	2022
a	17.729 ± 0.002 Å
b	21.126 ± 0.003 Å
c	21.855 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8185.6 ± 1.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
279631 (current)	2022-11-30	cif/ Adding structures of 7245924, 7245925, 7245926 via cif-deposit CGI script.	7245926.cif