Crystallography Open Database

Information card for entry 4061820

Preview

Coordinates	4061820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Si3 Ti
Calculated formula	C30 H50 Si3 Ti
SMILES	[Ti]123456789([c]%10([c]1([c]2([c]3([cH]4%10)C)C)C)C)([c]1([c]5([c]6([c]7([cH]81)C)C)C)C)=C=C([Si](C)(C)C)[Si](C([Si](C)(C)C)=C=9)(C)C
Journal of publication	Organometallics
Year of publication	2005
a	9.965 ± 0.0001 Å
b	18.272 ± 0.0002 Å
c	18.889 ± 0.0003 Å
α	106.585 ± 0.0007°
β	104.761 ± 0.0007°
γ	90.682 ± 0.0008°
Cell volume	3174.13 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
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.	4061820.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4061820.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061820.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.	4061820.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/'	4061820.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061820.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.	4061820.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)	4061820.cif