Crystallography Open Database

Information card for entry 7216413

Preview

Coordinates	7216413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H112 Mn6 N4 O26 S4
Calculated formula	C64 H94 Mn6 N4 O23 S4
Title of publication	Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters
Authors of publication	Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6523
a	27.93 ± 0.008 Å
b	12.816 ± 0.003 Å
c	48.811 ± 0.014 Å
α	90°
β	95.693 ± 0.007°
γ	90°
Cell volume	17386 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.1059
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.2507
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
180495 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64.	7216413.cif
119414	2014-07-07	cif/ Updating files of 7216411, 7216412, 7216413 Original log message: Adding full bibliography for 7216411--7216413.cif.	7216413.cif
116017	2014-06-06	cif/ Adding structures of 7216411, 7216412, 7216413 via cif-deposit CGI script.	7216413.cif