Crystallography Open Database

Information card for entry 7017839

Preview

Coordinates	7017839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H80 Mn2 N6 Ni4 O28
Calculated formula	C44 H80.014 Mn2 N6 Ni4 O28.014
Title of publication	Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.
Authors of publication	Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	3
Pages of publication	1033 - 1046
a	10.2228 ± 0.0003 Å
b	10.7616 ± 0.0004 Å
c	14.12 ± 0.0004 Å
α	95.028 ± 0.002°
β	108.896 ± 0.002°
γ	90.062 ± 0.002°
Cell volume	1463.31 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179882 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/78.	7017839.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017839.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017839.cif
33437	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017837, 7017838, 7017839, 7017840, 7017841, 7017842, 7017843 via cif-deposit CGI script.	7017839.cif