Crystallography Open Database

Information card for entry 7017058

Preview

Coordinates	7017058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H26 Mn N2 O14 S2
Calculated formula	C5 H20 Mn N2 O14 S2
Title of publication	Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).
Authors of publication	Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	43
Pages of publication	11613 - 11620
a	6.6385 ± 0.0001 Å
b	11.0448 ± 0.0002 Å
c	12.6418 ± 0.0002 Å
α	90°
β	101.903 ± 0.001°
γ	90°
Cell volume	906.98 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0434
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
179874 (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 7/01/70.	7017058.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017058.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017058.cif
30028	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017056, 7017057, 7017058, 7017059 via cif-deposit CGI script.	7017058.cif