Crystallography Open Database

Information card for entry 4510861

Preview

Coordinates	4510861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 K2 N2 O12 Os
Calculated formula	C21 H40 K2 N2 O12 Os
Title of publication	Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks
Authors of publication	Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	2703
a	13.3502 ± 0.0002 Å
b	7.10564 ± 0.00011 Å
c	30.6426 ± 0.0004 Å
α	90°
β	100.306 ± 0.0015°
γ	90°
Cell volume	2859.91 ± 0.07 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	Mo
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510861.cif
119064	2014-07-05	cif/ Updating files of 4510860, 4510861, 4510862 Original log message: Adding full bibliography for 4510860--4510862.cif.	4510861.cif
113744	2014-05-14	cif/ Adding structures of 4510860, 4510861, 4510862 via cif-deposit CGI script.	4510861.cif