Crystallography Open Database

Information card for entry 7008903

Preview

Coordinates	7008903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 As Co Mo O9
Calculated formula	C27 H17 As Co Mo O9
SMILES	[Co]12([Mo]34567(C#[O])(C#[O])([C]1(=[C]23C(=O)OC)C(=O)OC)[cH]1[cH]4[cH]5[cH]6[cH]71)([As](O)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
Title of publication	Reactions of diarsines with bi- and tri-metallic carbonyl complexes containing cobalt
Authors of publication	Choi, Nick; Conole, Gráinne; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Stone, Caroline L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	3
Pages of publication	395
a	11.938 ± 0.004 Å
b	14.533 ± 0.003 Å
c	16.455 ± 0.003 Å
α	90°
β	99.94 ± 0.02°
γ	90°
Cell volume	2812 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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
Residual factor for all reflections	0.133
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179793 (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 7/00/89.	7008903.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008903.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008903.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	7008903.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008903.cif