Crystallography Open Database

Information card for entry 2240372

Preview

Coordinates	2240372.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{[tris(hydroxymethyl)methyl]ammonium} decaaquadi-μ~4~oxido-tetra-μ~3~-oxido-hexadeca-μ~2~-oxido-hexaoxidodimanganesedecavanadate dihydrate
Formula	C8 H48 Mn2 N2 O46 V10
Calculated formula	C8 H48 Mn2 N2 O46 V10
Title of publication	Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O
Authors of publication	Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	2
Pages of publication	146 - 150
a	19.3147 ± 0.0008 Å
b	9.7733 ± 0.0004 Å
c	22.7952 ± 0.001 Å
α	90°
β	96.392 ± 0.001°
γ	90°
Cell volume	4276.3 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0625
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240372.cif
129521	2015-01-11	cif/ hkl/ Adding structures of 2240371, 2240372 via cif-deposit CGI script.	2240372.cif