Crystallography Open Database

Information card for entry 2311099

Preview

Coordinates	2311099.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Na Zeolite Y * CO2
Formula	C33.94 Al0 Na58.75 O481.8 Si192
Calculated formula	C33.936 Na58.704 O481.856 Si192
Title of publication	CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment
Authors of publication	Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco
Journal of publication	Acta Crystallographica Section A Foundations and Advances
Year of publication	2019
Journal volume	75
Journal issue	2
a	24.94919 ± 0.00016 Å
b	24.94919 ± 0.00016 Å
c	24.94919 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	15529.9 ± 0.17 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2438
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.70158 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213529 (current)	2019-02-07	cif/ Adding structures of 2311099, 2311100 via cif-deposit CGI script.	2311099.cif