Crystallography Open Database

Information card for entry 4326324

Preview

Coordinates	4326324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H81 In2 N5 O26
Calculated formula	C66.746 H51.074 In2 N2.582 O18.582
Title of publication	Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks
Authors of publication	Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9374 - 9384
a	9.848 ± 0.0002 Å
b	9.848 ± 0.0002 Å
c	35.0588 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3400.11 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.6939 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326324.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326324.cif
48488	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326324 via cif-deposit CGI script.	4326324.cif