Crystallography Open Database

Information card for entry 1512744

Preview

Coordinates	1512744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H71 N7 O4 Sr2
Calculated formula	C72 H76 N8 O4 Sr2
SMILES	[Sr]1([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Oc2c(cccc2C)C)[O](c2c(cccc2C)C)[Sr]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Oc2c(cccc2C)C)[O]1c1c(cccc1C)C.n1ccccc1.n1ccccc1
Title of publication	Synthesis and characterization of the heavy alkaline earth aryloxide congeners
Authors of publication	Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	259 - 268
a	12.8064 ± 0.0009 Å
b	18.3229 ± 0.0013 Å
c	14.2866 ± 0.001 Å
α	90°
β	101.328 ± 0.001°
γ	90°
Cell volume	3287 ± 0.4 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	5
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	0.0886
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.811
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512744.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512744.cif
90820	2013-11-19	cif/ Adding structures of 1512744 via cif-deposit CGI script.	1512744.cif