Crystallography Open Database

Information card for entry 1559939

Preview

Coordinates	1559939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O389.23 Si192 Zn36.1
Calculated formula	O389.251 Si192 Zn36.144
Title of publication	Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions
Authors of publication	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	1
Pages of publication	583 - 592
a	24.731 ± 0.0002 Å
b	24.731 ± 0.0002 Å
c	24.731 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	15126 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
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	0.056
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	0.63 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261505 (current)	2021-02-04	cif/ Updating files of 1559931, 1559932, 1559933, 1559934, 1559935, 1559936, 1559937, 1559938, 1559939, 1559940, 1559941, 1559942, 1559943, 1559944, 1559945 Original log message: Adding full bibliography for 1559931--1559945.cif.	1559939.cif
260491	2021-01-05	cif/ Adding structures of 1559939 via cif-deposit CGI script.	1559939.cif