Crystallography Open Database

Information card for entry 4123752

Preview

Coordinates	4123752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 Ca O10.66
Calculated formula	C34 H20 Ca O10.66
Title of publication	Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.
Authors of publication	Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	22
Pages of publication	7007 - 7010
a	5.1594 ± 0.0002 Å
b	11.0274 ± 0.0006 Å
c	15.274 ± 0.0008 Å
α	83.31 ± 0.004°
β	87.657 ± 0.004°
γ	83.128 ± 0.004°
Cell volume	856.57 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
140102 (current)	2015-07-05	cif/ Updating files of 4123752, 4123753, 4123754, 4123755 Original log message: Adding full bibliography for 4123752--4123755.cif.	4123752.cif
137573	2015-05-31	cif/ Adding structures of 4123752, 4123753, 4123754, 4123755 via cif-deposit CGI script.	4123752.cif