Crystallography Open Database

Information card for entry 1513657

Preview

Coordinates	1513657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl1.5 N1.5 O24 V6
Calculated formula	C21 H18 Cl1.5 N1.5 O24 V6
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	21.0482 ± 0.0014 Å
b	21.0482 ± 0.0014 Å
c	21.648 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9590.6 ± 1.6 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1681
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2371
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1513657.cif
105100	2014-03-11	cif/ Adding structures of 1513656, 1513657, 1513658, 1513659, 1513660 via cif-deposit CGI script.	1513657.cif