Crystallography Open Database

Information card for entry 2106002

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Structure parameters

Formula	C4 H12 Cl4 Co N2
Calculated formula	C4 H12 Cl4 Co N2
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CC[NH2+]CC1
Title of publication	(C~4~H~12~N~2~)[CoCl~4~]: tetrahedrally coordinated Co^2+^ without the orbital degeneracy
Authors of publication	Decaroli, C.; Arevalo-Lopez, A. M.; Woodall, C. H.; Rodriguez, E. E.; Attfield, J. P.; Parker, S. F.; Stock, C.
Journal of publication	Acta Crystallographica Section B
Year of publication	2015
Journal volume	71
Journal issue	1
a	8.2876 ± 0.0006 Å
b	11.1324 ± 0.0009 Å
c	11.9121 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1099.02 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.074
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	Yes

Version history

Revision	Date	Message	Files
181879 (current)	2016-04-06	hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/60.	2106002.cif 2106002.hkl
180918	2016-04-02	hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/60.	2106002.cif 2106002.hkl
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2106002.cif 2106002.hkl
130016	2015-01-22	cif/ hkl/ Adding structures of 2106002 via cif-deposit CGI script.	2106002.cif 2106002.hkl