Crystallography Open Database

Information card for entry 4343700

Preview

Coordinates	4343700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H35 Co2 N5 O S4
Calculated formula	C43 H35 Co2 N5 O S4
SMILES	[Co]123Sc4c(C=[N]2c2cc([N]5[Co]6(Sc7c(C=5)cccc7)Sc5c(C=[N]6c6cc([N]3=Cc3c(S1)cccc3)ccc6)cccc5)ccc2)cccc4.O=CN(C)C
Title of publication	Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.
Authors of publication	Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7653 - 7659
a	16.7646 ± 0.0004 Å
b	13.2122 ± 0.0003 Å
c	33.6825 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7460.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.1191
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
152806 (current)	2015-08-05	cif/ Updating files of 4343698, 4343699, 4343700, 4343701 Original log message: Adding full bibliography for 4343698--4343701.cif.	4343700.cif
146542	2015-07-12	cif/ Adding structures of 4343698, 4343699, 4343700, 4343701 via cif-deposit CGI script.	4343700.cif