Crystallography Open Database

Information card for entry 4327164

Preview

Coordinates	4327164.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Coenox2-BPYE-NA
Formula	C19 H21 Co N4 O14
Calculated formula	C19 H21 Co N4 O14
Title of publication	Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers
Authors of publication	M. Jaya Prakash; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12739 - 12746
a	6.9094 ± 0.0006 Å
b	13.4452 ± 0.0012 Å
c	13.4974 ± 0.0013 Å
α	96.748 ± 0.002°
β	92.489 ± 0.002°
γ	101.009 ± 0.002°
Cell volume	1219.49 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179374 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/71.	4327164.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327164.cif
49943	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327164 via cif-deposit CGI script.	4327164.cif