Crystallography Open Database

Information card for entry 8107601

Preview

Coordinates	8107601.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RUB-1
Formula	C48 H96 B6 N6 O108 Si48
Calculated formula	C64.0001 B5.472 N6.00012 O108 Si48.528
Title of publication	The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
Authors of publication	Gruenewald-Lueke, Antje; Grosskreuz, Isabel; Gies, Hermann; Marler, Bernd
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	923 - 925
a	12.8892 ± 0.0001 Å
b	12.8892 ± 0.0001 Å
c	22.3058 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3209.23 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor R(I) for significantly intense reflections	4.1003
Goodness-of-fit parameter for all reflections	1.6901
Method of determination	powder diffraction
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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