Crystallography Open Database

Information card for entry 7113042

Preview

Coordinates	7113042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H81.86 B0.43 N3 O60.43 P16.57 V9
Calculated formula	B0.432 H30.06 O55.5 P16.568 V9
Title of publication	An extraordinary boron-mediated 16R-channel-containing trivalent vanadium phosphite with unique solid state redox properties.
Authors of publication	Huang, Hui-Lin; Wang, Sue-Lein
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	33
Pages of publication	6141 - 6143
a	13.4541 ± 0.0009 Å
b	13.4541 ± 0.0009 Å
c	27.755 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4350.9 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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