Crystallography Open Database

Information card for entry 7033339

Preview

Coordinates	7033339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H38 Co2 N8 O14
Calculated formula	C53 H38 Co2 N8 O14
Title of publication	Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.
Authors of publication	Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	6
Pages of publication	2852 - 2864
a	10.0917 ± 0.0019 Å
b	15.319 ± 0.003 Å
c	17.538 ± 0.003 Å
α	70.053 ± 0.003°
β	79.573 ± 0.003°
γ	86.827 ± 0.003°
Cell volume	2506.5 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1001
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2145
Weighted residual factors for all reflections included in the refinement	0.2187
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033339.cif
133345	2015-03-06	cif/ Updating files of 7033337, 7033338, 7033339 Original log message: Adding full bibliography for 7033337--7033339.cif.	7033339.cif
128166	2014-12-06	cif/ Adding structures of 7033337, 7033338, 7033339 via cif-deposit CGI script.	7033339.cif