Crystallography Open Database

Information card for entry 1519128

1519127 << 1519128 >> 1519129

Preview

Coordinates	1519128.cif

Structure parameters

Formula	C24 H20 Cl2 I2 N O3 Sb W
Calculated formula	C24 H20 Cl2 I2 N O3 Sb W
SMILES	[W]([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)(I)(I)([N]#CC)(C#[O])(C#[O])C#[O].ClCCl
Title of publication	C23H18I2NO3SbW, CH2Cl2
Authors of publication	Baker, Paul K.; Hursthouse, Michael B.; Lamond, Steven J.
Journal of publication	Crystal Structure Report Archive
Year of publication	1993
Pages of publication	1186
a	8.532 ± 0.0017 Å
b	26.226 ± 0.005 Å
c	13.132 ± 0.003 Å
α	90°
β	96.29 ± 0.03°
γ	90°
Cell volume	2920.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0449
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	0.559
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
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.	1519128.cif
135431	2015-04-30	cif/ Adding structures of 1519128 via cif-deposit CGI script.	1519128.cif