Crystallography Open Database

Information card for entry 1519132

1519131 << 1519132 >> 1519133

Preview

Coordinates	1519132.cif

Structure parameters

Formula	C23 H18 I2 N O3 P W
Calculated formula	C23 H18 I2 N O3 P W
SMILES	[W](I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)(C#[O])(C#[O])C#[O]
Title of publication	C23H18I2NO3PW
Authors of publication	Baker, Paul K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1993
Pages of publication	1190
a	11.456 ± 0.007 Å
b	10.938 ± 0.002 Å
c	20.2783 ± 0.0016 Å
α	90°
β	104.5 ± 0.02°
γ	90°
Cell volume	2460.1 ± 1.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	0.735
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.	1519132.cif
135435	2015-04-30	cif/ Adding structures of 1519132 via cif-deposit CGI script.	1519132.cif