Crystallography Open Database

Information card for entry 4101639

Preview

Coordinates	4101639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bio-MOF-11
Formula	C7 H7 Co N5 O2
Calculated formula	C7 H7 Co N5 O2
Title of publication	High and selective CO2 uptake in a cobalt adeninate metal-organic framework exhibiting pyrimidine- and amino-decorated pores.
Authors of publication	An, Jihyun; Geib, Steven J; Rosi, Nathaniel L
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	38 - 39
a	15.4355 ± 0.0018 Å
b	15.4355 ± 0.0018 Å
c	22.775 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5426.2 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1371
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.2834
Weighted residual factors for all reflections included in the refinement	0.2974
Goodness-of-fit parameter for all reflections included in the refinement	2.388
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
178762 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/16.	4101639.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101639.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101639.cif
21864	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101639 via cif-deposit CGI script.	4101639.cif