Crystallography Open Database

Information card for entry 2011457

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Coordinates	2011457.cif
Original IUCr paper	HTML

Structure parameters

Common name	Tetraimidazolium octamolybdate(VI)
Formula	C12 H20 Mo8 N8 O26
Calculated formula	C12 H20 Mo8 N8 O26
SMILES	c1[nH]cc[nH+]1.[nH]1c[nH+]cc1.O1[Mo]23([O]4[Mo]567(=O)[O]89[Mo]%10%11%12([O]26[Mo]2([O]%10[Mo]8(O[Mo](O[Mo]49([O]3%11)(=O)=O)(O5)(=O)=O)([O]72)(=O)=O)(O[Mo]1(O%12)(=O)=O)(=O)=O)=O)(=O)=O.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1
Title of publication	A new inorganic–organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion
Authors of publication	Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	10
Pages of publication	e441 - e442
a	9.3491 ± 0.0015 Å
b	9.7506 ± 0.0012 Å
c	10.3634 ± 0.0016 Å
α	83.938 ± 0.011°
β	75.667 ± 0.012°
γ	64.891 ± 0.01°
Cell volume	828.8 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.024
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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