Crystallography Open Database

Information card for entry 1519130

1519129 << 1519130 >> 1519131

Preview

Coordinates	1519130.cif

Structure parameters

Formula	C17 H10 I2 N2 O3 W
Calculated formula	C17 H10 I2 N2 O3 W
SMILES	[W](I)(I)([N]#Cc1ccccc1)([N]#Cc1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	C17H10I2N2O3W
Authors of publication	Baker, Paul K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1993
Pages of publication	1188
a	7.815 ± 0.003 Å
b	13.839 ± 0.005 Å
c	18.475 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1998.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	0.54
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.	1519130.cif
135433	2015-04-30	cif/ Adding structures of 1519130 via cif-deposit CGI script.	1519130.cif