Crystallography Open Database

Information card for entry 4519545

4519544 << 4519545 >> 4519546

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Coordinates	4519545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N O5 Pb
Calculated formula	C12 H12 N O5 Pb
Title of publication	A General Energy-Puzzle Strategy to Fabricate Efficient Metal–Organic Framework Scintillators for X-ray Detection
Authors of publication	Lu, Junhao; Fan, Yingtong; Zhou, Bingyue; Ye, Zecong; Mei, Sen; Zhou, Dan; Chen, Lanhua; Chen, Lixi; Liu, Hanzhou; Zhu, Huifang; Dai, Xing; Wang, Yanlong; Diwu, Juan; Wang, Shuao
Journal of publication	ACS Materials Letters
Year of publication	2024
Journal volume	6
Journal issue	9
Pages of publication	3951 - 3957
a	7.6476 ± 0.0002 Å
b	18.2198 ± 0.0003 Å
c	10.1548 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1414.95 ± 0.05 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
306907 (current)	2026-09-25	cif/ Adding structures of 4519545 via cif-deposit CGI script.	4519545.cif