Crystallography Open Database

Information card for entry 4336255

Preview

Coordinates	4336255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H50 Fe2 N22 O5 Zn3
Calculated formula	C62 H50 Fe2 N22 O5 Zn3
Title of publication	Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3-: High CO2/N2 and CO2/CH4 Selectivity
Authors of publication	Arpan Hazra; Satyanarayana Bonakala; Sandeep K. Reddy; Sundaram Balasubramanian; Tapas Kumar Maji
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11385 - 11397
a	15.8354 ± 0.0005 Å
b	17.5204 ± 0.0006 Å
c	11.4998 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3190.53 ± 0.17 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179465 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/62.	4336255.cif
102232	2014-02-19	cif/ Adding structures of 4336255 via cif-deposit CGI script.	4336255.cif