Crystallography Open Database

Information card for entry 1507796

Preview

Coordinates	1507796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 N12 O25 Zn6
Calculated formula	C24 H12 N12 O25 Zn6
Title of publication	Hydrogen Storage in New Metal‒Organic Frameworks
Authors of publication	Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2012
Journal volume	116
Journal issue	24
Pages of publication	13143
a	20.123 ± 0.002 Å
b	20.123 ± 0.002 Å
c	20.123 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8148.5 ± 1.4 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.255
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
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.	1507796.cif
113438	2014-05-12	cif/ Updating files of 1507796, 1507797, 1507798, 1507799, 1507800 Original log message: Adding full bibliography for 1507796--1507800.cif.	1507796.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507796.cif
62282	2012-07-07	cif/ Adding structures of 1507796, 1507797, 1507798, 1507799, 1507800 via cif-deposit CGI script.	1507796.cif