Crystallography Open Database

Information card for entry 7250603

Preview

Coordinates	7250603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H66 Cd4 N2 O42
Calculated formula	C52 H65.9988 Cd4 N2 O41.9994
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	20.2245 ± 0.001 Å
b	24.9058 ± 0.001 Å
c	17.2568 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8692.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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