Crystallography Open Database

Information card for entry 7245925

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Coordinates	7245925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H46 Cd3 N12 O14
Calculated formula	C64 H46 Cd3 N12 O14
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	12.933 ± 0.002 Å
b	13.25 ± 0.002 Å
c	13.77 ± 0.002 Å
α	78.372 ± 0.003°
β	63.205 ± 0.003°
γ	73.101 ± 0.003°
Cell volume	2008.5 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
279631 (current)	2022-11-30	cif/ Adding structures of 7245924, 7245925, 7245926 via cif-deposit CGI script.	7245925.cif