Crystallography Open Database

Information card for entry 7023939

Preview

Coordinates	7023939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H94 Cl4 Mn4 N18 O23
Calculated formula	C99 H94 Cl4 Mn4 N18 O23
Title of publication	From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.
Authors of publication	Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	47
Pages of publication	16510 - 16517
a	11.3801 ± 0.0002 Å
b	22.7282 ± 0.0004 Å
c	19.6458 ± 0.0004 Å
α	90°
β	97.4164 ± 0.0016°
γ	90°
Cell volume	5038.86 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179944 (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 7/02/39.	7023939.cif
91587	2013-12-13	cif/ Adding structures of 7023936, 7023937, 7023938, 7023939 via cif-deposit CGI script.	7023939.cif