Crystallography Open Database

Information card for entry 4061128

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Coordinates	4061128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H78 B2 Mg2 O4
Calculated formula	C52 H78 B2 Mg2 O4
SMILES	[Mg]1(CCCC)([O]2CCCC2)[O](B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[Mg](CCCC)([O]1B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[O]1CCCC1
Journal of publication	Organometallics
Year of publication	2004
a	10.2085 ± 0.0005 Å
b	11.3243 ± 0.0006 Å
c	12.956 ± 0.0007 Å
α	111.292 ± 0.002°
β	94.887 ± 0.002°
γ	111.725 ± 0.002°
Cell volume	1253.99 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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.	4061128.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4061128.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061128.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.	4061128.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/'	4061128.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061128.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.	4061128.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)	4061128.cif