Crystallography Open Database

Information card for entry 8100614

Preview

Coordinates	8100614.cif

Structure parameters

Formula	C31 H39 Co2 O5 Ti
Calculated formula	C31 H39 Co2 O5 Ti
SMILES	[Co]1234(C([Co]1(C#[O])(C#[O])C#[O])=[O][Ti]156789%10%112([c]2([c]7([c]6([c]5([c]12C)C)C)C)C)([c]1(C)[c]8([c]9(C)[c]%10(C)[c]%111C)C)C3=C4C(C)(C)C)C#[O]
Title of publication	Crystal structure of bis(η^5^-pentamethylcyclopentadienyl)(μ~3~- (oxymethylidin)-cyclo-(tricarbonylcobalt)(monocarbonylcobalt)-(μ~2~- η^2^-3-trimethylpropinyl)titan, C~31~H~39~Co~2~O~5~Ti
Authors of publication	Spannenberg, Anke; Dallmann, Kai; Burlakov, Vladimir V.; Rosenthal, Uwe
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	2
Pages of publication	241 - 243
a	12.714 ± 0.003 Å
b	15.495 ± 0.003 Å
c	15.596 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3072.5 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
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.	8100614.cif
103369	2014-03-03	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100614.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100614.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100614.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.	8100614.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/'	8100614.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100614.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.	8100614.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)	8100614.cif