Crystallography Open Database

Information card for entry 7023280

Preview

Coordinates	7023280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Na2Fe2(OMe)2(L1)4(NO3)2].2MeOH
Formula	C40 H52 Fe2 N6 Na2 O18
Calculated formula	C40 H52 Fe2 N6 Na2 O18
Title of publication	Homo- and heterometallic planes, chains and cubanes.
Authors of publication	Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	28
Pages of publication	10315 - 10325
a	11.6905 ± 0.0005 Å
b	11.156 ± 0.0005 Å
c	19.0629 ± 0.0009 Å
α	90°
β	93.391 ± 0.004°
γ	90°
Cell volume	2481.82 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1581
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for significantly intense reflections	0.2439
Weighted residual factors for all reflections included in the refinement	0.2723
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179937 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023280.cif
90485	2013-11-17	cif/ Adding structures of 7023277, 7023278, 7023279, 7023280, 7023281, 7023282 via cif-deposit CGI script.	7023280.cif