Crystallography Open Database

Information card for entry 1513659

Preview

Coordinates	1513659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H24 Cl6 O207.75 V30
Calculated formula	C72 H24 Cl6 O201.75 V30
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	34.773 ± 0.003 Å
b	34.773 ± 0.003 Å
c	39.676 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	41547 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1954
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513659.cif
105100	2014-03-11	cif/ Adding structures of 1513656, 1513657, 1513658, 1513659, 1513660 via cif-deposit CGI script.	1513659.cif