Crystallography Open Database

Information card for entry 1545015

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Structure parameters

Chemical name	<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate
Formula	C10 H10 Co F12 O8
Calculated formula	C10 H10 Co F12 O8
SMILES	[Co]12(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([OH2])[OH2].O.O
Title of publication	<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate
Authors of publication	Tominaga, Takumi; Mochida, Tomoyuki
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	1
Pages of publication	x170002
a	11.139 ± 0.007 Å
b	6.979 ± 0.004 Å
c	12.546 ± 0.008 Å
α	90°
β	102.221 ± 0.007°
γ	90°
Cell volume	953.2 ± 1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
191426 (current)	2017-02-04	cif/ Updating files of 1545015 Original log message: Adding full bibliography for 1545015.cif.	1545015.cif 1545015.hkl
190045	2017-01-08	cif/ hkl/ Adding structures of 1545015 via cif-deposit CGI script.	1545015.cif 1545015.hkl