Crystallography Open Database

Information card for entry 1519119

1519118 << 1519119 >> 1519120

Preview

Coordinates	1519119.cif

Structure parameters

Formula	C24 H20 As I2 N O3 W
Calculated formula	C24 H20 As I2 N O3 W
SMILES	[W](I)(I)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CCC)(C#[O])(C#[O])C#[O]
Title of publication	C24H20AsI2NO3W
Authors of publication	Baker, Paul K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1992
Pages of publication	1184
a	11.465 ± 0.003 Å
b	11.129 ± 0.002 Å
c	20.95 ± 0.002 Å
α	90°
β	105.335 ± 0.005°
γ	90°
Cell volume	2577.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0523
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	0.824
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519119.cif
135421	2015-04-29	cif/ Adding structures of 1519119 via cif-deposit CGI script.	1519119.cif