Crystallography Open Database

Information card for entry 1520428

1520427 << 1520428 >> 1520429

Preview

Coordinates	1520428.cif

Structure parameters

Formula	C8 H14 I N O2 Si
Calculated formula	C8 H14 I N O2 Si
SMILES	C12CCCC(=O)[N+]=1C[Si](C)(C)O2.[I-]
Title of publication	C8H14INO2Si
Authors of publication	Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	652
a	8.4342 ± 0.0003 Å
b	7.2543 ± 0.0002 Å
c	9.661 ± 0.0003 Å
α	90°
β	103.079 ± 0.002°
γ	90°
Cell volume	575.77 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520428.cif
138922	2015-06-08	cif/ Adding structures of 1520428 via cif-deposit CGI script.	1520428.cif