Crystallography Open Database

Information card for entry 1514434

Preview

Coordinates	1514434.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bio-MOF-13
Formula	C9 H15 Co N5 O3
Calculated formula	C9 H10 Co N5 O3
Title of publication	Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues
Authors of publication	Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	4
Pages of publication	1746
a	15.7869 ± 0.001 Å
b	15.7869 ± 0.001 Å
c	22.328 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5564.7 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0687
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1514434.cif
110136	2014-04-18	cif/ Adding structures of 1514433, 1514434, 1514435 via cif-deposit CGI script.	1514434.cif