Crystallography Open Database

Information card for entry 4507521

Preview

Coordinates	4507521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H10 O32 S5 Zr6
Calculated formula	C30 H10 O32 S5 Zr6
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	13.57 ± 0.003 Å
b	19.8 ± 0.004 Å
c	28.39 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7628 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2562
Weighted residual factors for all reflections included in the refinement	0.2771
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4507521.cif
85547	2013-05-07	cif/ Adding structures of 4507517, 4507518, 4507519, 4507520, 4507521, 4507522 via cif-deposit CGI script.	4507521.cif