Crystallography Open Database

Information card for entry 4103013

Preview

Coordinates	4103013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.72 H36 N24 O19.44
Calculated formula	C39.72 H36 N24 O19.44
Title of publication	Highly Selective Carbon Dioxide Sorption in an Organic Molecular Porous Material
Authors of publication	Hyunuk Kim; Yonghwi Kim; Minyoung Yoon; Soyoung Lim; Se Min Park; Gon Seo; Kimoon Kim
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	12200 - 12202
a	31.782 ± 0.005 Å
b	31.782 ± 0.005 Å
c	12.388 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	10837 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.2466
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103013.html