Crystallography Open Database

Information card for entry 7115086

Preview

Coordinates	7115086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.2 H5.49 Cu1.37 O6.86
Calculated formula	C17.6 H5.48571 Cu1.37143 O6.85714
Title of publication	Nanoballs: nanoscale faceted polyhedra with large windows and cavities
Authors of publication	Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	9
Pages of publication	863
a	28.6458 ± 0.0019 Å
b	28.6458 ± 0.0019 Å
c	28.165 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	20015 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1837
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.3083
Weighted residual factors for all reflections included in the refinement	0.3416
Goodness-of-fit parameter for all reflections included in the refinement	1.317
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115086.cif
118520	2014-06-30	cif/ Adding structures of 7115083, 7115084, 7115085, 7115086 via cif-deposit CGI script.	7115086.cif