Crystallography Open Database

Information card for entry 1515078

Preview

Coordinates	1515078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.71 H20 O8 Zn1.71
Calculated formula	C34.7143 H20 O8 Zn1.71429
Title of publication	A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities
Authors of publication	Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	10
Pages of publication	3032
a	36.3615 ± 0.0003 Å
b	36.3615 ± 0.0003 Å
c	34.7679 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	45968.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515078.cif
110861	2014-04-20	cif/ Adding structures of 1515077, 1515078 via cif-deposit CGI script.	1515078.cif