Crystallography Open Database

Information card for entry 7249787

Preview

Coordinates	7249787.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pb-btdb
Formula	C23 H17 N3 O5 Pb S
Calculated formula	C23 H17 N3 O5 Pb S
Title of publication	Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+
Authors of publication	Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	7
Pages of publication	956 - 963
a	13.86 ± 0.004 Å
b	4.3787 ± 0.0012 Å
c	35.14 ± 0.009 Å
α	90°
β	93.77 ± 0.004°
γ	90°
Cell volume	2128 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
298207 (current)	2025-03-04	cif/ Updating files of 7249787 Original log message: Adding full bibliography for 7249787.cif.	7249787.cif
297362	2025-01-17	cif/ Adding structures of 7249787 via cif-deposit CGI script.	7249787.cif