Crystallography Open Database

Information card for entry 7218381

Preview

Coordinates	7218381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 Cu2 N5 O16
Calculated formula	C26 H14 Cu2 O10
Title of publication	A NbO type microporous metal‒organic framework constructed from a naphthalene derived ligand for CH4and C2H2storage at room temperature
Authors of publication	Cai, Jianfeng; Lin, Yichao; Yu, Jiancan; Wu, Chuande; Chen, Liang; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	90
Pages of publication	49457
a	18.6843 ± 0.0007 Å
b	18.6843 ± 0.0007 Å
c	38.6052 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	11671.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
180514 (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 7/21/83.	7218381.cif
125070	2014-10-08	cif/ Adding structures of 7218381 via cif-deposit CGI script.	7218381.cif