Crystallography Open Database

Information card for entry 4106806

Preview

Coordinates	4106806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 I4.5 N12
Calculated formula	C72 H84 I4.432 N12
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	24.7706 ± 0.0005 Å
b	24.7706 ± 0.0005 Å
c	24.7706 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	15198.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1012
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.2605
Weighted residual factors for all reflections included in the refinement	0.2628
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.7749 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.	4106806.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106806.cif
53617	2012-04-20	cif/ Adding structures of 4106806 via cif-deposit CGI script.	4106806.cif