Crystallography Open Database

Information card for entry 7250602

Preview

Coordinates	7250602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Cd3.99 N2 Na2 O44
Calculated formula	C52 H45.9996 Cd4 N2 Na2 O43.9998
Title of publication	Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water
Authors of publication	Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	30
Pages of publication	5204 - 5212
a	18.813 ± 0.006 Å
b	17.151 ± 0.005 Å
c	25.366 ± 0.008 Å
α	90°
β	104.339 ± 0.013°
γ	90°
Cell volume	7930 ± 4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0571
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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