Crystallography Open Database

Information card for entry 7224156

Preview

Coordinates	7224156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 Cu2 N4 O14
Calculated formula	C50 H34 Cu2 N4 O14
Title of publication	Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid
Authors of publication	Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	1878
a	7.8383 ± 0.0006 Å
b	9.4782 ± 0.0006 Å
c	14.9216 ± 0.0013 Å
α	91.826 ± 0.006°
β	95.897 ± 0.006°
γ	103.056 ± 0.006°
Cell volume	1072.46 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
181613 (current)	2016-04-05	cif/ Updating files of 7224155, 7224156 Original log message: Adding full bibliography for 7224155--7224156.cif.	7224156.cif
176236	2016-02-06	cif/ Adding structures of 7224155, 7224156 via cif-deposit CGI script.	7224156.cif