Crystallography Open Database

Information card for entry 4326548

Preview

Coordinates	4326548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 Cs2 O2
Calculated formula	C36 H26 Cs2 O2
SMILES	c1(c(cccc1c1ccccc1)c1ccccc1)[O-].[Cs+]
Title of publication	Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides
Authors of publication	Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10363 - 10370
a	11.7518 ± 0.0012 Å
b	7.3162 ± 0.0008 Å
c	16.9431 ± 0.0018 Å
α	90°
β	101.019 ± 0.002°
γ	90°
Cell volume	1429.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0262
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
179368 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/65.	4326548.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326548.cif
48853	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326548 via cif-deposit CGI script.	4326548.cif