Crystallography Open Database

Information card for entry 4517499

Preview

Coordinates	4517499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 Cl21 N9 Pb3 Sb2
Calculated formula	C81 Cl21 N9 Pb3 Sb2
Title of publication	Bulk Assembly of Multicomponent Zero-Dimensional Metal Halides with Dual Emission
Authors of publication	Zhou, Chenkun; Lee, Sujin; Lin, Haoran; Neu, Jennifer; Chaaban, Maya; Xu, Liang-Jin; Arcidiacono, Ashley; He, Qingquan; Worku, Michael; Ledbetter, Logan; Lin, Xinsong; Schlueter, John A.; Siegrist, Theo; Ma, Biwu
Journal of publication	ACS Materials Letters
Year of publication	2020
Pages of publication	376 - 380
a	14.798 ± 0.0005 Å
b	30.4525 ± 0.0007 Å
c	14.7929 ± 0.0005 Å
α	90°
β	119.955 ± 0.005°
γ	90°
Cell volume	5775.7 ± 0.4 Å³
Cell temperature	119 K
Ambient diffraction temperature	119 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1856
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for all reflections	0.2132
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
257091 (current)	2020-10-04	cif/ Updating files of 4517499 Original log message: Adding full bibliography for 4517499.cif.	4517499.cif
249329	2020-03-13	cif/ Adding structures of 4517499 via cif-deposit CGI script.	4517499.cif