Crystallography Open Database

Information card for entry 4077295

Preview

Coordinates	4077295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 As Mo O3 Si
Calculated formula	C15 H15 As Mo O3 Si
SMILES	[Si]([C]12=[As]3[Mo]4561(C#[O])(C#[O])(C#[O])[CH]2=[CH]4[c]15[c]36cccc1)(C)(C)C
Title of publication	1-Arsanaphthalene. The Structure of Tricarbonyl(2-trimethylsilyl-1-arsanaphthalene)molybdenum
Authors of publication	Ashe, Arthur J.; Fang, Xiangdong; Kampf, Jeff W.
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	10
Pages of publication	2109
a	7.0165 ± 0.0002 Å
b	10.8379 ± 0.0002 Å
c	11.4935 ± 0.0003 Å
α	70.01°
β	87.43 ± 0.001°
γ	83.698 ± 0.001°
Cell volume	816.37 ± 0.03 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0172
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
178661 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/72.	4077295.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077295.cif
54280	2012-04-24	cif/ Adding structures of 4077295 via cif-deposit CGI script.	4077295.cif