Crystallography Open Database

Information card for entry 7009450

Preview

Coordinates	7009450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	COMPLEX 9
Formula	C24 H26 Mo2 O6 P2
Calculated formula	C24 H26 Mo2 O6 P2
SMILES	[Mo]12345([PH]([Mo]6789([P]1(OCC)OCC)(C#[O])(C#[O])[cH]1[cH]9[cH]8[cH]7[cH]61)c1ccccc1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	The reactions of the anions [Cp2(CO)4Mo2(μ-PRR')]− (R, R' = H, Ph) towards chloroarsines and chlorophosphines; synthesis of complexes containing both bridging phosphido and arsenido groups
Authors of publication	Davies, John E.; Feeder, Neil; Gray, Caspar A.; Mays, Martin J.; Woods, Anthony D.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	11
Pages of publication	1695
a	9.7396 ± 0.0005 Å
b	17.1917 ± 0.0007 Å
c	15.3458 ± 0.0011 Å
α	90°
β	97.401 ± 0.003°
γ	90°
Cell volume	2548.1 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009450.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009450.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009450.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7009450.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009450.cif