Crystallography Open Database

Information card for entry 7121059

Preview

Coordinates	7121059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H126 As2 K3.5 Li8 N4.5 O134 P4 W24
Calculated formula	C18.02 H10 As2 K3.51 N3.01 O105.04 P4 W24
Title of publication	The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.
Authors of publication	Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	18
Pages of publication	2216 - 2219
a	26.5613 ± 0.0017 Å
b	28.3926 ± 0.0004 Å
c	14.2563 ± 0.0009 Å
α	90°
β	140.272 ± 0.013°
γ	90°
Cell volume	6872 ± 2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	9
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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