Crystallography Open Database

Information card for entry 4100983

Preview

Coordinates	4100983.cif

Structure parameters

Formula	C32 H20 Mo2 O10 P2
Calculated formula	C32 H20 Mo2 O10 P2
SMILES	[Mo]([P@@]1([C@@H]2c3ccccc3[C@@H]([P@]([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C2)c2ccccc2)C1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Mo]([P@]1([C@H]2c3ccccc3[C@H]([P@@]([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C2)c2ccccc2)C1)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	9.0413 ± 0.0001 Å
b	21.6707 ± 0.0003 Å
c	17.8474 ± 0.0003 Å
α	90°
β	111.977 ± 0.0005°
γ	90°
Cell volume	3242.75 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178755 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/09.	4100983.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100983.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.	4100983.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.	4100983.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/'	4100983.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100983.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.	4100983.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)	4100983.cif