Crystallography Open Database

Information card for entry 4106805

Preview

Coordinates	4106805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H90 N12 O13 Os2.5
Calculated formula	C72 H84 N12 O13.242 Os2.562
Title of publication	Molecular Doping of Porous Organic Cages
Authors of publication	Tom Hasell; Marc Schmidtmann; Andrew I. Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14920 - 14923
a	24.9834 ± 0.0013 Å
b	24.9834 ± 0.0013 Å
c	24.9834 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	15593.9 ± 1.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	210
Hermann-Mauguin space group symbol	F 41 3 2
Hall space group symbol	F 4d 2 3
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106805.cif
53616	2012-04-20	cif/ Adding structures of 4106805 via cif-deposit CGI script.	4106805.cif