Crystallography Open Database

Information card for entry 2020727

2020726 << 2020727 >> 2020728

Preview

Coordinates	2020727.cif
Structure factors	2020727.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Cobalt complex 2
Chemical name	<i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]
Formula	C12 H32 Cl4 Co2 O4
Calculated formula	C12 H32 Cl4 Co2 O4
SMILES	[Co]([Cl][Co](Cl)(Cl)[Cl][Co]([OH]C(C)C)([OH]C(C)C)(Cl)([OH]C(C)C)[OH]C(C)C)([OH]C(C)C)([OH]C(C)C)([Cl][Co](Cl)Cl)([OH]C(C)C)[OH]C(C)C
Title of publication	Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Authors of publication	Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	104 - 114
a	16.5619 ± 0.0009 Å
b	9.4778 ± 0.0005 Å
c	15.6842 ± 0.0009 Å
α	90°
β	116.411 ± 0.002°
γ	90°
Cell volume	2205 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0349
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
193922 (current)	2017-03-05	cif/ hkl/ Adding structures of 2020726, 2020727, 2020728 via cif-deposit CGI script.	2020727.cif 2020727.hkl