Crystallography Open Database

Information card for entry 4506860

Preview

Coordinates	4506860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H76 Co2 N12 O23.25
Calculated formula	C24 H76 Co2 N12 O23.25
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	8.886 ± 0.0007 Å
b	21.164 ± 0.002 Å
c	12.701 ± 0.001 Å
α	90°
β	103.424 ± 0.006°
γ	90°
Cell volume	2323.3 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4506860.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506860.cif
71847	2013-01-21	cif/ Adding structures of 4506860, 4506861, 4506862, 4506863, 4506864 via cif-deposit CGI script.	4506860.cif