Crystallography Open Database

Information card for entry 4506862

Preview

Coordinates	4506862.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(en)3]ADC3/2 x 4 H2O
Formula	C12 H32 Co N6 O10
Calculated formula	C12 H32 Co N6 O10
Title of publication	Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)
Authors of publication	Liebig, Thomas J.; Ruschewitz, Uwe
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5402
a	8.5645 ± 0.0014 Å
b	10.8666 ± 0.0019 Å
c	12.352 ± 0.002 Å
α	87.53 ± 0.02°
β	72.56 ± 0.02°
γ	71.337 ± 0.019°
Cell volume	1037.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1051
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	0.74
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
179604 (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 4/50/68.	4506862.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506862.cif
71847	2013-01-21	cif/ Adding structures of 4506860, 4506861, 4506862, 4506863, 4506864 via cif-deposit CGI script.	4506862.cif