Crystallography Open Database

Information card for entry 7224155

Preview

Coordinates	7224155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 Cu4 N4 O15
Calculated formula	C50 H34 Cu4 N4 O15
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	7.48 ± 0.0015 Å
b	23.63 ± 0.005 Å
c	12.47 ± 0.003 Å
α	90°
β	98.05 ± 0.03°
γ	90°
Cell volume	2182.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2322
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	7224155.cif
176236	2016-02-06	cif/ Adding structures of 7224155, 7224156 via cif-deposit CGI script.	7224155.cif