Crystallography Open Database

Information card for entry 7045425

Preview

Coordinates	7045425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H0.67 Cl13 Mn2 N16
Calculated formula	C24 Cl13 Mn2 N16
Title of publication	Challenge in optoelectronic duplex switches: a red emission large-size single crystal and a unidirectional flexible thin film of a hybrid multifunctional material.
Authors of publication	Zhu, Xiao; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2344 - 2351
a	9.6566 ± 0.0007 Å
b	9.6566 ± 0.0007 Å
c	72.509 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5855.6 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3433
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
229794 (current)	2019-11-17	cif/ Updating files of 7045424, 7045425 Original log message: Adding full bibliography for 7045424--7045425.cif.	7045425.cif
205772	2018-01-27	cif/ Adding structures of 7045424, 7045425 via cif-deposit CGI script.	7045425.cif