Crystallography Open Database

Information card for entry 1569004

Preview

Coordinates	1569004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cu2 I3 N4 O6 P3
Calculated formula	C12 H20 Cu2 I3 N4 O6 P3
Title of publication	Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.
Authors of publication	Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5415 - 5424
a	13.8592 ± 0.0005 Å
b	13.8592 ± 0.0005 Å
c	13.1579 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2527.34 ± 0.19 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	83
Hermann-Mauguin space group symbol	P 4/m
Hall space group symbol	-P 4
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.1364
Weighted residual factors for significantly intense reflections	0.3418
Weighted residual factors for all reflections included in the refinement	0.3424
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
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
284227 (current)	2023-06-05	cif/ Updating files of 1569003, 1569004, 1569005 Original log message: Adding full bibliography for 1569003--1569005.cif.	1569004.cif
282950	2023-05-03	cif/ Adding structures of 1569003, 1569004, 1569005 via cif-deposit CGI script.	1569004.cif