Crystallography Open Database

Information card for entry 2241600

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Structure parameters

Chemical name	Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate
Formula	C40 H40 Co2 N24 O6 S
Calculated formula	C40 H40 Co2 N24 O6 S
SMILES	c1c[n]2[Co]3([n]4ccccc4Nc4[n]3cccc4)(N=N#N)(N=N#N)[n]3ccccc3Nc2cc1.O=S(=O)([O-])[O-].O.c1cccc2[n]1[Co]1([n]3c(cccc3)N2)([n]2ccccc2Nc2[n]1cccc2)(N=N#N)N=N#N.O
Title of publication	Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate
Authors of publication	Setifi, Fatima; Knaust, Jacqueline M.; Setifi, Zouaoui; Touzani, Rachid
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	4
Pages of publication	470 - 476
a	19.9014 ± 0.0004 Å
b	8.7044 ± 0.0002 Å
c	27.1181 ± 0.0005 Å
α	90°
β	90.753 ± 0.001°
γ	90°
Cell volume	4697.26 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
181917 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16.	2241600.cif 2241600.hkl
178117	2016-03-11	cif/ hkl/ Adding structures of 2241600 via cif-deposit CGI script.	2241600.cif 2241600.hkl