Crystallography Open Database

Information card for entry 7027701

Preview

Coordinates	7027701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 As2 Co O4 P W
Calculated formula	C27 H20 As2 Co O4 P W
SMILES	[W]123456([Co]7([P](c8ccccc8)(c8ccccc8)c8ccccc8)([As]1=[As]27)(C#[O])C#[O])(C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
Title of publication	Synthesis, reactivity and structural characterization of some heterometallic complexes containing naked arsenic ligands †
Authors of publication	Adams, Katherine V.; Choi, Nick; Conole, Gráinne; Davies, John E.; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Raithby, Paul R.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	21
Pages of publication	3679
a	12.772 ± 0.001 Å
b	20.831 ± 0.002 Å
c	10.493 ± 0.002 Å
α	90.43 ± 0.01°
β	103.48 ± 0.01°
γ	90.82 ± 0.01°
Cell volume	2714.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179983 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/77.	7027701.cif
95663	2014-01-28	cif/ Adding structures of 7027699, 7027700, 7027701, 7027702, 7027703 via cif-deposit CGI script.	7027701.cif