Crystallography Open Database

Information card for entry 4061568

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Coordinates	4061568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H108 Si4
Calculated formula	C60 H108 Si4
SMILES	[C@@]12(C(=C(C(C)(C)C)[Si]32C(=C([C@@]3(C(C)(C)C)[Si]1=[Si]1[C@@]2(C(=C(C(C)(C)C)[Si]32C(=C([C@@]13C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[C@]12(C(=C(C(C)(C)C)[Si]32C(=C([C@]3(C(C)(C)C)[Si]1=[Si]1[C@]2(C(=C(C(C)(C)C)[Si]32C(=C([C@]13C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Authors of publication	Tsutsui, Shinobu; Kwon, Eunsang; Tanaka, Hiromasa; Matsumoto, Shigeki; Sakamoto, Kenkichi
Journal of publication	Organometallics
Year of publication	2005
a	28.034 ± 0.005 Å
b	19.327 ± 0.003 Å
c	10.7343 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	5816 ± 1.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4061568.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4061568.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061568.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4061568.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4061568.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061568.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4061568.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4061568.cif