Crystallography Open Database

Information card for entry 2237249

Preview

Coordinates	2237249.cif
Structure factors	2237249.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>cis</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(nitrito- κ<i>N</i>)cobalt(III) (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrito- κ<i>N</i>)cobaltate(III) monohydrate
Formula	C6 H26 Co2 N12 O13
Calculated formula	C6 H26 Co2 N12 O13
SMILES	[Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(N(=O)=O)N(=O)=O.[Co]1([NH2]CC[NH2]1)(N(=O)=O)(N(=O)=O)(N(=O)=O)N(=O)=O.O
Title of publication	Redetermination of <i>cis</i>-bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(nitrito-κ<i>N</i>)cobalt(III) (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrito-κ<i>N</i>)cobaltate(III) monohydrate
Authors of publication	Burrow, Robert A.; de Vicenti, Juliano R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	1
Pages of publication	m56 - m57
a	14.758 ± 0.0005 Å
b	6.706 ± 0.0002 Å
c	20.6845 ± 0.0007 Å
α	90°
β	96.969 ± 0.002°
γ	90°
Cell volume	2031.96 ± 0.11 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	0.0527
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
204117 (current)	2017-12-10	cif/2/23/ Updating space group information in entries 2237043, 2237188, 2237249.	2237249.cif 2237249.hkl
181294	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/72.	2237249.cif 2237249.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2237249.cif 2237249.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2237249.cif 2237249.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2237249.cif 2237249.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2237249.cif 2237249.hkl
73478	2013-02-20	cif/ Adding structures of 2237249 via cif-deposit CGI script.	2237249.cif