Crystallography Open Database

Information card for entry 4506238

Preview

Coordinates	4506238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 Co3 N2 O20
Calculated formula	C42 H24 Co3 N2 O20
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	10.22 ± 0.002 Å
b	23.211 ± 0.003 Å
c	17.646 ± 0.005 Å
α	90°
β	90.688 ± 0.005°
γ	90°
Cell volume	4185.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4506238.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506238.cif
62202	2012-07-07	cif/ Adding structures of 4506238, 4506239, 4506240, 4506241 via cif-deposit CGI script.	4506238.cif