Crystallography Open Database

Information card for entry 4301712

Preview

Coordinates	4301712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C163 H228 N8 O12 Sc4
Calculated formula	C163 H228 N8 O12 Sc4
Title of publication	Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands
Authors of publication	Christian Meermann; Karl W. Törnroos; Reiner Anwander
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2561 - 2570
a	19.2322 ± 0.0004 Å
b	23.6954 ± 0.0006 Å
c	17.3634 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7912.8 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179055 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/17.	4301712.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301712.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301712.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301712.cif