Crystallography Open Database

Information card for entry 4506239

Preview

Coordinates	4506239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H30 Co3 N4 O14
Calculated formula	C50 H30 Co3 N4 O14
Title of publication	Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior
Authors of publication	Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3158
a	10.14 ± 0.002 Å
b	10.148 ± 0.004 Å
c	11.369 ± 0.005 Å
α	92.076 ± 0.005°
β	94.575 ± 0.004°
γ	115.448 ± 0.006°
Cell volume	1049.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0429
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179598 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/62.	4506239.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506239.cif
62202	2012-07-07	cif/ Adding structures of 4506238, 4506239, 4506240, 4506241 via cif-deposit CGI script.	4506239.cif