Crystallography Open Database

Information card for entry 2243918

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Structure parameters

Chemical name	(Δ/Λ)-Tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)
Formula	C12 H60 Cl7 Co2 N12 Na O6
Calculated formula	C12 H60 Cl7 Co2 N12 Na O6
SMILES	C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Cl-].[Cl-].[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
Title of publication	Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)
Authors of publication	Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	10
a	11.429 ± 0.0002 Å
b	11.429 ± 0.0002 Å
c	15.5815 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1762.61 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
280578 (current)	2023-01-25	cif/2: Fixing a few Z values and formulae	2243918.cif 2243918.hkl
269148	2021-09-15	cif/ hkl/ Adding structures of 2243918 via cif-deposit CGI script.	2243918.cif 2243918.hkl