Crystallography Open Database

Information card for entry 4061991

4061990 << 4061991 >> 4061992

Preview

Coordinates	4061991.cif

Structure parameters

Formula	C87 H88 Au2 O8 P2
Calculated formula	C87 H88 Au2 O8 P2
SMILES	[Au](C#Cc1cc2c3OCCOCCOCCOCCOc4c(Cc5c(OC)c(C2)ccc5)cc(cc4Cc2c(OC)c(ccc2)Cc3c1)C#C[Au][P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.O=C(C)C
Journal of publication	Organometallics
Year of publication	2003
a	14.828 ± 0.003 Å
b	16.138 ± 0.003 Å
c	16.669 ± 0.003 Å
α	88.42 ± 0.03°
β	86.27 ± 0.03°
γ	82.76 ± 0.03°
Cell volume	3947.9 ± 1.3 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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.	4061991.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061991.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.	4061991.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/'	4061991.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061991.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.	4061991.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)	4061991.cif