Crystallography Open Database

Information card for entry 4507517

Preview

Coordinates	4507517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H8 O32 S4 Zr6.13
Calculated formula	C24 H8 O32 S4 Zr6.45
Title of publication	Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism
Authors of publication	Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1231
a	39.12 ± 0.005 Å
b	39.12 ± 0.005 Å
c	39.12 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	59868 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179611 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/75.	4507517.cif
85547	2013-05-07	cif/ Adding structures of 4507517, 4507518, 4507519, 4507520, 4507521, 4507522 via cif-deposit CGI script.	4507517.cif