Crystallography Open Database

Information card for entry 7100394

Preview

Coordinates	7100394.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Pt2(muP(tBu)2)(mu,eta1,eta2C(Ph)CH2)(C=CPh)(CO)(PtBu2H )(Br))
Formula	C37 H57 Br O2 P2 Pt2
Calculated formula	C37 H57 Br O2 P2 Pt2
SMILES	[Pt]12(P(C(C)(C)C)C(C)(C)C)([P]([Pt]([C]2(=[CH2]1)c1ccccc1)(Br)C#[O])(C(C)(C)C)C(C)(C)C)C#Cc1ccccc1.C1CCCO1
Title of publication	Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework
Authors of publication	A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli
Journal of publication	Chemical Communications
Year of publication	2005
a	15.9215 ± 0.0002 Å
b	11.2562 ± 0.0002 Å
c	22.8096 ± 0.0003 Å
α	90°
β	104.38 ± 0.001°
γ	90°
Cell volume	3959.8 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180105 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/03.	7100394.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100394.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100394.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.	7100394.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	7100394.cif
23	2008-01-27	Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ \| xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ \| tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ \| xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ \| utf8-to-cif \ \| perl -pe "s//\\\\/g" \ \| fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded.	7100394.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/'	7100394.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100394.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.	7100394.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)	7100394.cif