Crystallography Open Database

Information card for entry 4100985

Preview

Coordinates	4100985.cif

Structure parameters

Formula	C32 H18 O10 P2 W2
Calculated formula	C32 H18 O10 P2 W2
SMILES	[W]([P@]1([C@@H]2[P@@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C=Cc3c([C@H]12)cccc3)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]1([C@H]2[P@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C=Cc3c([C@@H]12)cccc3)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Authors of publication	Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.4762 ± 0.0001 Å
b	11.3603 ± 0.0001 Å
c	14.8964 ± 0.0001 Å
α	103.56 ± 0.0004°
β	99.8561 ± 0.0005°
γ	103.982 ± 0.0004°
Cell volume	1622.87 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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
277856 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4100985.cif
277855	2022-09-15	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	4100985.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100985.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.	4100985.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/'	4100985.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100985.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.	4100985.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)	4100985.cif