Crystallography Open Database

Information card for entry 1567998

Preview

Coordinates	1567998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H2 I2 K2 O4 Pb
Calculated formula	C2 H2 I2 K2 O4 Pb
SMILES	C(=O)[O-].[K+].[I-].[I-].[K+].[O-]C=O.[Pb+2]
Title of publication	New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.
Authors of publication	Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao
Journal of publication	Chemical science
Year of publication	2022
Journal volume	14
Journal issue	1
Pages of publication	136 - 142
a	5.8024 ± 0.0001 Å
b	6.774 ± 0.0002 Å
c	13.626 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	535.58 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281340 (current)	2023-03-04	cif/ Updating files of 1567997, 1567998 Original log message: Adding full bibliography for 1567997--1567998.cif.	1567998.cif
279475	2022-11-23	cif/ Adding structures of 1567997, 1567998 via cif-deposit CGI script.	1567998.cif