Crystallography Open Database

Information card for entry 7700581

Preview

Coordinates	7700581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 H224 K13 Li12 Mn12 Na O312 P8 W52
Calculated formula	Cl2 K13 Li4 Mn10 Na O270 P8 W52
Title of publication	Synthesis, structure and electrochemical characterization of an isopolytungstate (W<sub>4</sub>O<sub>16</sub>) held by Mn<sup>II</sup> anchors within a superlacunary crown heteropolyanion {P<sub>8</sub>W<sub>48</sub>}.
Authors of publication	Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Kostakis, George E.; Anson, Christopher E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	41
Pages of publication	15545 - 15552
a	39.2947 ± 0.0014 Å
b	30.2573 ± 0.0006 Å
c	27.7045 ± 0.001 Å
α	90°
β	122.85 ± 0.002°
γ	90°
Cell volume	27672.1 ± 1.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	9
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	0.0779
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223895 (current)	2019-11-07	cif/ Updating files of 7700581 Original log message: Adding full bibliography for 7700581.cif.	7700581.cif
217092	2019-07-17	cif/ Adding structures of 7700581 via cif-deposit CGI script.	7700581.cif