Crystallography Open Database

Information card for entry 7717050

Preview

Coordinates	7717050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Br2 Cu N
Calculated formula	C4 Br2 Cu N
Title of publication	Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.
Authors of publication	Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16577 - 16584
a	13.848 ± 0.004 Å
b	6.7421 ± 0.0019 Å
c	9.389 ± 0.003 Å
α	90°
β	121.275 ± 0.002°
γ	90°
Cell volume	749.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
296585 (current)	2024-12-06	cif/ Updating files of 7717050, 7717051, 7717052 Original log message: Adding full bibliography for 7717050--7717052.cif.	7717050.cif
294811	2024-09-20	cif/ Adding structures of 7717050, 7717051, 7717052 via cif-deposit CGI script.	7717050.cif