Crystallography Open Database

Information card for entry 1512746

Preview

Coordinates	1512746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 N3 O2 Sr
Calculated formula	C43 H57 N3 O2 Sr
SMILES	[Sr]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C
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	15.9769 ± 0.0019 Å
b	18.674 ± 0.002 Å
c	27.258 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8132.5 ± 1.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	0.838
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512746.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512746.cif
90822	2013-11-19	cif/ Adding structures of 1512746 via cif-deposit CGI script.	1512746.cif