Crystallography Open Database

Information card for entry 7110153

Preview

Coordinates	7110153.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2_CO2
Formula	C12.17 H10 O2.33
Calculated formula	C12.1667 H10 O2.33333
Title of publication	Carbon dioxide entrapment in an organic molecular host
Authors of publication	Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	50
Pages of publication	85
a	28.908 ± 0.006 Å
b	28.908 ± 0.006 Å
c	5.8899 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	4262.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180215 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/01.	7110153.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7110153.cif
91946	2013-12-30	cif/ Adding structures of 7110151, 7110152, 7110153, 7110154, 7110155 via cif-deposit CGI script.	7110153.cif