The Novel Polymorphic Form of Bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7]decane) bis(𝝁₄-oxo)-tris(𝝁₃-oxo)-nonakis(𝝁₂-oxo)-nonaaqua-decaoxo-hepta-molybdenum-di-zinc(II) dihydrate, Synthesis, and Properties

Table 1

Details of crystal data and refinement of 1.

Empirical formula	C12H48Mo7N8O35Zn2
Formula weight	1666.9
Crystal system, space group	Triclinic, 𝑃-1 (No. 2)
Temperature [K]	291.0(2)
Wavelength	0.71073
Unit cell dimensions [Å, °]	𝑎=22.7527 (7)
	𝑏=24.7023 (7)
	𝑐=31.9954 (9)
	𝛼=101.206 (2)
	𝛽=103.256 (2)
	𝛾=105.736 (2)
Volume [Å^3]	16203.8 (8)
𝑍, Calculated density [Mg/m^3]	16, 2.733
Absorption coefficient [mm^−1]	2.733
𝐹(000)	12960
Crystal size [mm]	0.395×0.393×0.209
𝜃 range for data collection [°]	1.52 to 36.23
Index ranges	−28≤ℎ≤37, −35≤𝑘≤40, −52≤𝑙≤36
Reflections collected/unique	267213/126216 [𝑅int=0.0496]
Refinement method	full-matrix least-squares on 𝐹^2
Completeness	100% to 𝜃=25^∘
Min. and max. transmission	0.340 and 0.542
Goodness-of-fit on 𝐹^2	1.007
Final 𝑅 indices [I>2𝜎(I)]	𝑅1=0.0313, 𝑤𝑅2=0.0563
𝑅 indices (all data)	𝑅1=0.0543, 𝑤𝑅2=0.0607
Largest diff. peak and hole [e·Å^−3]	0.601 and −0.722