Crystallography Open Database

Information card for entry 7216412

Preview

Coordinates	7216412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H61 Mn3 N2 O12 S2
Calculated formula	C39 H61 Mn3 N2 O12 S2
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	29.157 ± 0.003 Å
b	26.193 ± 0.002 Å
c	13.1814 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	10066.8 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
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.	7216412.cif
119414	2014-07-07	cif/ Updating files of 7216411, 7216412, 7216413 Original log message: Adding full bibliography for 7216411--7216413.cif.	7216412.cif
116017	2014-06-06	cif/ Adding structures of 7216411, 7216412, 7216413 via cif-deposit CGI script.	7216412.cif