Crystallography Open Database

Information card for entry 1512745

Preview

Coordinates	1512745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H49 N4 O2 Sr
Calculated formula	C44 H49 N4 O2 Sr
SMILES	[Sr]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(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	14.8727 ± 0.0015 Å
b	17.7921 ± 0.0018 Å
c	17.3089 ± 0.0017 Å
α	90°
β	103.892 ± 0.001°
γ	90°
Cell volume	4446.3 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0511
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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.	1512745.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512745.cif
90821	2013-11-19	cif/ Adding structures of 1512745 via cif-deposit CGI script.	1512745.cif