Crystallography Open Database

Information card for entry 2010661

2010660 << 2010661 >> 2010662

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Structure parameters

Chemical name	bis(ethylenediamine)pyrimidinyl-2-carboxylato Co(3+) trifluoromethanesulfonate dihydrate
Formula	C11 H23 Co F6 N6 O10 S2
Calculated formula	C11 H23 Co F6 N6 O10 S2
SMILES	[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[n]1cccnc1C(=O)O3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O
Title of publication	Bis(ethylenediamine-<i>N</i>,<i>N</i>')(pyrimidine-2-carboxylato-<i>N</i>^1^,<i>O</i>)cobalt(III) bis(trifluoromethanesulfonate) dihydrate
Authors of publication	Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	e51 - e52
a	6.4976 ± 0.0004 Å
b	12.729 ± 0.001 Å
c	14.741 ± 0.001 Å
α	73.4 ± 0.01°
β	81.98 ± 0.01°
γ	74.61 ± 0.01°
Cell volume	1123.81 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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