Crystallography Open Database

Information card for entry 7055218

Preview

Coordinates	7055218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 Cd1.5 N4 O7
Calculated formula	C29 H22 Cd1.5 N4 O7
Title of publication	A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer
Authors of publication	Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	3
Pages of publication	1927
a	15.6969 ± 0.0006 Å
b	20.9233 ± 0.0007 Å
c	11.7168 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3848.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
181761 (current)	2016-04-05	cif/ Updating files of 7055217, 7055218 Original log message: Adding full bibliography for 7055217--7055218.cif.	7055218.cif
171457	2015-12-12	cif/ Adding structures of 7055217, 7055218 via cif-deposit CGI script.	7055218.cif