Crystallography Open Database

Information card for entry 4106955

Preview

Coordinates	4106955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H84 Cl0 F12 N13
Calculated formula	C120 H84 F12 N12.99
Title of publication	Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages
Authors of publication	Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16566 - 16571
a	30.128 ± 0.005 Å
b	30.128 ± 0.005 Å
c	20.746 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	16308 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106955.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106955.cif
54485	2012-04-27	cif/ Adding structures of 4106955 via cif-deposit CGI script.	4106955.cif