Crystallography Open Database

Information card for entry 7047695

Preview

Coordinates	7047695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Cl6 N2 Pb2
Calculated formula	C6 H12 Cl6 N2 Pb2
Title of publication	A facile synthesis of two new IR optical perovskites based on 1,4-diazabicyclo[2,2,2]octane with a high laser damage threshold.
Authors of publication	Song, Jun-Ling; Chen, Wen-Jun; Chu, Kai-Bin; Zhou, Yu-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	41
Pages of publication	14497 - 14502
a	10.4179 ± 0.0003 Å
b	10.4179 ± 0.0003 Å
c	14.7046 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1595.93 ± 0.08 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
229344 (current)	2019-11-17	cif/ Updating files of 7047695, 7047696 Original log message: Adding full bibliography for 7047695--7047696.cif.	7047695.cif
211305	2018-10-04	cif/ Adding structures of 7047695, 7047696 via cif-deposit CGI script.	7047695.cif