Crystallography Open Database

Information card for entry 2104894

Preview

Coordinates	2104894.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium
Formula	C12 H16 Mn N8 O6 V2
Calculated formula	C12 H16 Mn N8 O6 V2
Title of publication	Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Authors of publication	Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Journal of publication	Acta Crystallographica Section B
Year of publication	2011
Journal volume	67
Journal issue	1
Pages of publication	41 - 52
a	16.3271 ± 0.0002 Å
b	16.3271 ± 0.0002 Å
c	14.8304 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3953.4 ± 0.09 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections	2.5912
Goodness-of-fit parameter for all reflections included in the refinement	2.5912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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