Crystallography Open Database

Information card for entry 4066473

Preview

Coordinates	4066473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 I2 Sb
Calculated formula	C9 H13 I2 Sb
SMILES	[Sb](I)(I)C3(C(=C(C(=C3)C)C)C)C
Title of publication	Influence of Ring Methylation in Group 15 Tetramethylcyclopentadienyl Complexes, M(C5Me4H)nI3−n(M = As, Sb)†
Authors of publication	Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5551
a	9.74 ± 0.002 Å
b	8.75 ± 0.002 Å
c	15.39 ± 0.003 Å
α	90°
β	96.67 ± 0.03°
γ	90°
Cell volume	1302.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.057
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178556 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64.	4066473.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066473.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066473.cif
33903	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066471, 4066472, 4066473 via cif-deposit CGI script.	4066473.cif