Crystallography Open Database

Information card for entry 4335311

Preview

Coordinates	4335311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H22 F18 N O14 Zn4
Calculated formula	C53 H22 F18 N O14 Zn4
Title of publication	Gas Storage in a Partially Fluorinated Highly Stable Three-Dimensional Porous Metal-Organic Framework
Authors of publication	Atanu Santra; Irena Senkovska; Stefan Kaskel; Parimal K. Bharadwaj
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7358 - 7366
a	22.53 ± 0.005 Å
b	25.597 ± 0.005 Å
c	34.009 ± 0.005 Å
α	90 ± 0.005°
β	107.439 ± 0.005°
γ	90 ± 0.005°
Cell volume	18712 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1408
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.213
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
179456 (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 4/33/53.	4335311.cif
101237	2014-02-11	cif/ Adding structures of 4335311 via cif-deposit CGI script.	4335311.cif