Crystallography Open Database

Information card for entry 2105712

Preview

Coordinates	2105712.cif
Original IUCr paper	HTML

Structure parameters

Common name	deca-dodecasil
Formula	O120 Si60
Calculated formula	O120 Si60
Title of publication	Second-degree twinning and dynamic disorder in the crystal structure of deca-dodecasil 3R
Authors of publication	Langer, Vratislav; Smrčok, Ľubomír; Tunega, Daniel; Wirnsberger, Gernot
Journal of publication	Acta Crystallographica Section B Structural Science
Year of publication	2005
Journal volume	61
Journal issue	6
Pages of publication	627 - 634
a	13.7761 ± 0.0001 Å
b	13.7761 ± 0.0001 Å
c	41.5456 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6828.23 ± 0.12 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	2
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	2100335
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	2105712.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105712.cif
99190	2014-01-30	cif/ Adding structures of 2105712 via cif-deposit CGI script.	2105712.cif