Crystallography Open Database

Information card for entry 1513660

Preview

Coordinates	1513660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H56 Cl6 N8 O139 V26.2
Calculated formula	C88 H56 Cl6 N8 O139.68 V26.2
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	21.1683 ± 0.0005 Å
b	21.1683 ± 0.0005 Å
c	27.3991 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	12277.5 ± 0.8 Å³
Cell temperature	396 ± 2 K
Ambient diffraction temperature	396 ± 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	0.1395
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
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.	1513660.cif
105100	2014-03-11	cif/ Adding structures of 1513656, 1513657, 1513658, 1513659, 1513660 via cif-deposit CGI script.	1513660.cif