Crystallography Open Database

Information card for entry 1559067

Preview

Coordinates	1559067.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tri-mu-hydroxobis{[N,N',N''-trimethyl-1,1,1- tris(aminomethyl)ethane]chromium(III)} Chloride Tetrahydrate
Formula	C16 H53 Cl3 Cr2 N6 O7
Calculated formula	C16 Cl3 Cr2 N6 O7
SMILES	[Cr]12345([Cr]67([OH]1)([OH]2)([OH]3)[NH](C)CC(C[NH]6C)(C[NH]7C)C)[NH](C)CC(C[NH]4C)(C[NH]5C)C.[Cl-].[Cl-].[Cl-].O.O.O.O
Title of publication	Magnetism, Spectroscopy and Structure of Tri-mu-hydroxobis{[N,N',N''- trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III)} Chloride Tetrahydrate
Authors of publication	Glerup, Jorgen; Larsen, Sine; Weihe, Hogni
Journal of publication	Acta Chemica Scandinavica
Year of publication	1993
Journal volume	47
Pages of publication	1154 - 1161
a	9.674 ± 0.003 Å
b	13.775 ± 0.003 Å
c	22.947 ± 0.004 Å
α	90°
β	102.5 ± 0.02°
γ	90°
Cell volume	2985.4 ± 1.3 Å³
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.047
Goodness-of-fit parameter for all reflections included in the refinement	1.33
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256347 (current)	2020-09-11	cif/ Adding structures of 1559067 via cif-deposit CGI script.	1559067.cif