Crystallography Open Database

Information card for entry 4067352

Preview

Coordinates	4067352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H34 I2 O5 Sr
Calculated formula	C16 H34 I2 O5 Sr
SMILES	[Sr]1(I)(I)([O](CC[O]1C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Stability and Reactivity of Phenylstrontium Compounds in Solution
Authors of publication	Langer, Jens; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	9
Pages of publication	2034
a	17.1871 ± 0.0004 Å
b	8.9208 ± 0.0004 Å
c	16.1756 ± 0.0006 Å
α	90°
β	99.6 ± 0.002°
γ	90°
Cell volume	2445.36 ± 0.15 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
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	0.0618
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178564 (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 4/06/73.	4067352.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067352.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067352.cif
34168	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067350, 4067351, 4067352, 4067353, 4067354 via cif-deposit CGI script.	4067352.cif