Crystallography Open Database

Information card for entry 1513656

Preview

Coordinates	1513656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.5 H7.5 Cl0.75 N0.75 O17.88 V3
Calculated formula	C10.51 H7.52 Cl0.75 N0.755 O17.88 V3
Title of publication	Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks
Authors of publication	Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	3
Pages of publication	927
a	21.1256 ± 0.0006 Å
b	21.1256 ± 0.0006 Å
c	27.4118 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	12233.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.41328 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513656.cif
105100	2014-03-11	cif/ Adding structures of 1513656, 1513657, 1513658, 1513659, 1513660 via cif-deposit CGI script.	1513656.cif