Crystallography Open Database

Information card for entry 7209602

7209601 << 7209602 >> 7209603

Preview

Coordinates	7209602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Cu2 N2 O12
Calculated formula	C24 H12 Cu2 N2 O12
Title of publication	Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture
Authors of publication	Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3517
a	20.3883 ± 0.0013 Å
b	20.3883 ± 0.0013 Å
c	20.3883 ± 0.0013 Å
α	54.956 ± 0.004°
β	54.956 ± 0.004°
γ	54.956 ± 0.004°
Cell volume	5289.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :R
Hall space group symbol	-P 3* 2
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209602.cif
86051	2013-05-09	cif/ Adding structures of 7209602 via cif-deposit CGI script.	7209602.cif