Crystallography Open Database

Information card for entry 7215459

Preview

Coordinates	7215459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Cu N2 O5
Calculated formula	C14 H8 Cu N2 O5
Title of publication	Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups
Authors of publication	Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5520
a	18.431 ± 0.0017 Å
b	18.431 ± 0.0017 Å
c	69.911 ± 0.015 Å
α	90°
β	90°
γ	120°
Cell volume	20567 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0744
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.1993
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215459.cif
116165	2014-06-07	cif/ Updating files of 7215459 Original log message: Adding full bibliography for 7215459.cif.	7215459.cif
112054	2014-04-29	cif/ Adding structures of 7215459 via cif-deposit CGI script.	7215459.cif