Crystallography Open Database

Information card for entry 7118309

Preview

Coordinates	7118309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H120 Li12 Mn6 Na11 O198 P5 W36
Calculated formula	Mn6 Na3.8 O177.35 P5 W36
Title of publication	Rearrangement of {α-P2W15} to {PW6} moieties during the assembly of transition-metal-linked polyoxometalate clusters.
Authors of publication	Martin-Sabi, Mercè; Winter, Ross Stuart; Lydon, Claire; Cameron, Jamie M.; Long, De-Liang; Cronin, Leroy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	5
Pages of publication	919 - 921
a	14.0471 ± 0.0002 Å
b	21.9582 ± 0.0004 Å
c	30.7558 ± 0.0004 Å
α	87.466 ± 0.002°
β	88.627 ± 0.002°
γ	86.131 ± 0.002°
Cell volume	9453.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1203
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7118309.cif
173520	2016-01-06	cif/ Adding structures of 7118308, 7118309, 7118310 via cif-deposit CGI script.	7118309.cif