Crystallography Open Database

Information card for entry 4121692

Preview

Coordinates	4121692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 Cu2 N2 O11
Calculated formula	C20 H8 Cu2 N2 O11
Title of publication	A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.
Authors of publication	Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	17
Pages of publication	6207 - 6210
a	18.6895 ± 0.0005 Å
b	18.6895 ± 0.0005 Å
c	37.6886 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	11400.8 ± 0.5 Å³
Cell temperature	100 ± 0.19 K
Ambient diffraction temperature	100 ± 0.19 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2558
Weighted residual factors for all reflections included in the refinement	0.2627
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179018 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16.	4121692.cif
112748	2014-05-04	cif/ Updating files of 4121692 Original log message: Adding full bibliography for 4121692.cif.	4121692.cif
109598	2014-04-17	cif/ Adding structures of 4121692 via cif-deposit CGI script.	4121692.cif