Crystallography Open Database

Information card for entry 7704332

Preview

Coordinates	7704332.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pb4(2,6-ndc)3Br2]n
Formula	C18 H9 Br O6 Pb2
Calculated formula	C18 H9 Br O6 Pb2
Title of publication	Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.
Authors of publication	Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	22
Pages of publication	7309 - 7314
a	6.0493 ± 0.0004 Å
b	12.1823 ± 0.0006 Å
c	22.6741 ± 0.0014 Å
α	90°
β	91.064 ± 0.005°
γ	90°
Cell volume	1670.67 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation probe	x-ray
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
253878 (current)	2020-07-06	cif/ Updating files of 7704331, 7704332 Original log message: Adding full bibliography for 7704331--7704332.cif.	7704332.cif
251880	2020-05-07	cif/ Adding structures of 7704331, 7704332 via cif-deposit CGI script.	7704332.cif